----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016976405000000 -6.989684425000000 0.000000000000000 b 2.016976405000000 6.989684425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 *3 S 0.42372522935373 0.57627477064627 0.25000000000000 32.065 4 S 0.57627477064627 0.42372522935373 0.75000000000000 32.065 *5 S 0.73989179743183 0.26010820256817 0.38657379455073 32.065 6 S 0.26010820256817 0.73989179743183 0.88657379455073 32.065 7 S 0.26010820256817 0.73989179743183 0.61342620544927 32.065 8 S 0.73989179743183 0.26010820256817 0.11342620544927 32.065 *9 Cu 0.16434313419147 0.83565686580853 0.75000000000000 63.546 10 Cu 0.83565686580853 0.16434313419147 0.25000000000000 63.546 *11 Rb 0.10534698104904 0.89465301895096 0.25000000000000 85.468 12 Rb 0.89465301895096 0.10534698104904 0.75000000000000 85.468 *13 Nd 0.63430273976559 0.36569726023441 0.93936878533317 144.242 14 Nd 0.36569726023441 0.63430273976559 0.43936878533316 144.242 15 Nd 0.63430273976559 0.36569726023441 0.56063121466683 144.242 16 Nd 0.36569726023441 0.63430273976559 0.06063121466683 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.033952810000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.979368850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 2 *3 S 0.50000000000000 0.07627477064627 0.25000000000000 32.065 > 3 4 S 0.00000000000000 0.42372522935373 0.75000000000000 32.065 > 4 *5 S 0.00000000000000 0.26010820256817 0.38657379455073 32.065 > 5 6 S 0.50000000000000 0.23989179743183 0.88657379455073 32.065 > 6 7 S 0.50000000000000 0.23989179743183 0.61342620544927 32.065 > 7 8 S 0.00000000000000 0.26010820256817 0.11342620544927 32.065 > 8 9 S 0.50000000000000 0.50000000000000 0.50000000000000 32.065 > 1 10 S 0.50000000000000 0.50000000000000 0.00000000000000 32.065 > 2 11 S 0.00000000000000 0.57627477064627 0.25000000000000 32.065 > 3 12 S 0.50000000000000 0.92372522935373 0.75000000000000 32.065 > 4 13 S 0.50000000000000 0.76010820256817 0.38657379455073 32.065 > 5 14 S 0.00000000000000 0.73989179743183 0.88657379455073 32.065 > 6 15 S 0.00000000000000 0.73989179743183 0.61342620544927 32.065 > 7 16 S 0.50000000000000 0.76010820256817 0.11342620544927 32.065 > 8 *17 Cu 0.50000000000000 0.33565686580853 0.75000000000000 63.546 > 9 18 Cu 0.00000000000000 0.16434313419147 0.25000000000000 63.546 > 10 19 Cu 0.00000000000000 0.83565686580853 0.75000000000000 63.546 > 9 20 Cu 0.50000000000000 0.66434313419147 0.25000000000000 63.546 > 10 *21 Rb 0.50000000000000 0.39465301895096 0.25000000000000 85.468 > 11 22 Rb 0.00000000000000 0.10534698104904 0.75000000000000 85.468 > 12 23 Rb 0.00000000000000 0.89465301895096 0.25000000000000 85.468 > 11 24 Rb 0.50000000000000 0.60534698104904 0.75000000000000 85.468 > 12 *25 Nd 0.00000000000000 0.36569726023441 0.93936878533317 144.242 > 13 26 Nd 0.50000000000000 0.13430273976559 0.43936878533316 144.242 > 14 27 Nd 0.00000000000000 0.36569726023441 0.56063121466683 144.242 > 15 28 Nd 0.50000000000000 0.13430273976559 0.06063121466683 144.242 > 16 29 Nd 0.50000000000000 0.86569726023441 0.93936878533317 144.242 > 13 30 Nd 0.00000000000000 0.63430273976559 0.43936878533316 144.242 > 14 31 Nd 0.50000000000000 0.86569726023441 0.56063121466683 144.242 > 15 32 Nd 0.00000000000000 0.63430273976559 0.06063121466683 144.242 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.135811239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.979368850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): *1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 2 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 2 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 2 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 2 *9 S 0.12500000000000 0.07627477064627 0.25000000000000 32.065 > 3 10 S 0.37500000000000 0.07627477064627 0.25000000000000 32.065 > 3 11 S 0.62500000000000 0.07627477064627 0.25000000000000 32.065 > 3 12 S 0.87500000000000 0.07627477064627 0.25000000000000 32.065 > 3 13 S 0.00000000000000 0.42372522935373 0.75000000000000 32.065 > 4 14 S 0.25000000000000 0.42372522935373 0.75000000000000 32.065 > 4 15 S 0.50000000000000 0.42372522935373 0.75000000000000 32.065 > 4 16 S 0.75000000000000 0.42372522935373 0.75000000000000 32.065 > 4 *17 S 0.00000000000000 0.26010820256817 0.38657379455073 32.065 > 5 18 S 0.25000000000000 0.26010820256817 0.38657379455073 32.065 > 5 19 S 0.50000000000000 0.26010820256817 0.38657379455073 32.065 > 5 20 S 0.75000000000000 0.26010820256817 0.38657379455073 32.065 > 5 21 S 0.12500000000000 0.23989179743183 0.88657379455073 32.065 > 6 22 S 0.37500000000000 0.23989179743183 0.88657379455073 32.065 > 6 23 S 0.62500000000000 0.23989179743183 0.88657379455073 32.065 > 6 24 S 0.87500000000000 0.23989179743183 0.88657379455073 32.065 > 6 25 S 0.12500000000000 0.23989179743183 0.61342620544927 32.065 > 7 26 S 0.37500000000000 0.23989179743183 0.61342620544927 32.065 > 7 27 S 0.62500000000000 0.23989179743183 0.61342620544927 32.065 > 7 28 S 0.87500000000000 0.23989179743183 0.61342620544927 32.065 > 7 29 S 0.00000000000000 0.26010820256817 0.11342620544927 32.065 > 8 30 S 0.25000000000000 0.26010820256817 0.11342620544927 32.065 > 8 31 S 0.50000000000000 0.26010820256817 0.11342620544927 32.065 > 8 32 S 0.75000000000000 0.26010820256817 0.11342620544927 32.065 > 8 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 2 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 2 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 2 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 2 41 S 0.00000000000000 0.57627477064627 0.25000000000000 32.065 > 3 42 S 0.25000000000000 0.57627477064627 0.25000000000000 32.065 > 3 43 S 0.50000000000000 0.57627477064627 0.25000000000000 32.065 > 3 44 S 0.75000000000000 0.57627477064627 0.25000000000000 32.065 > 3 45 S 0.12500000000000 0.92372522935373 0.75000000000000 32.065 > 4 46 S 0.37500000000000 0.92372522935373 0.75000000000000 32.065 > 4 47 S 0.62500000000000 0.92372522935373 0.75000000000000 32.065 > 4 48 S 0.87500000000000 0.92372522935373 0.75000000000000 32.065 > 4 49 S 0.12500000000000 0.76010820256817 0.38657379455073 32.065 > 5 50 S 0.37500000000000 0.76010820256817 0.38657379455073 32.065 > 5 51 S 0.62500000000000 0.76010820256817 0.38657379455073 32.065 > 5 52 S 0.87500000000000 0.76010820256817 0.38657379455073 32.065 > 5 53 S 0.00000000000000 0.73989179743183 0.88657379455073 32.065 > 6 54 S 0.25000000000000 0.73989179743183 0.88657379455073 32.065 > 6 55 S 0.50000000000000 0.73989179743183 0.88657379455073 32.065 > 6 56 S 0.75000000000000 0.73989179743183 0.88657379455073 32.065 > 6 57 S 0.00000000000000 0.73989179743183 0.61342620544927 32.065 > 7 58 S 0.25000000000000 0.73989179743183 0.61342620544927 32.065 > 7 59 S 0.50000000000000 0.73989179743183 0.61342620544927 32.065 > 7 60 S 0.75000000000000 0.73989179743183 0.61342620544927 32.065 > 7 61 S 0.12500000000000 0.76010820256817 0.11342620544927 32.065 > 8 62 S 0.37500000000000 0.76010820256817 0.11342620544927 32.065 > 8 63 S 0.62500000000000 0.76010820256817 0.11342620544927 32.065 > 8 64 S 0.87500000000000 0.76010820256817 0.11342620544927 32.065 > 8 *65 Cu 0.12500000000000 0.33565686580853 0.75000000000000 63.546 > 9 66 Cu 0.37500000000000 0.33565686580853 0.75000000000000 63.546 > 9 67 Cu 0.62500000000000 0.33565686580853 0.75000000000000 63.546 > 9 68 Cu 0.87500000000000 0.33565686580853 0.75000000000000 63.546 > 9 69 Cu 0.00000000000000 0.16434313419147 0.25000000000000 63.546 > 10 70 Cu 0.25000000000000 0.16434313419147 0.25000000000000 63.546 > 10 71 Cu 0.50000000000000 0.16434313419147 0.25000000000000 63.546 > 10 72 Cu 0.75000000000000 0.16434313419147 0.25000000000000 63.546 > 10 73 Cu 0.00000000000000 0.83565686580853 0.75000000000000 63.546 > 9 74 Cu 0.25000000000000 0.83565686580853 0.75000000000000 63.546 > 9 75 Cu 0.50000000000000 0.83565686580853 0.75000000000000 63.546 > 9 76 Cu 0.75000000000000 0.83565686580853 0.75000000000000 63.546 > 9 77 Cu 0.12500000000000 0.66434313419147 0.25000000000000 63.546 > 10 78 Cu 0.37500000000000 0.66434313419147 0.25000000000000 63.546 > 10 79 Cu 0.62500000000000 0.66434313419147 0.25000000000000 63.546 > 10 80 Cu 0.87500000000000 0.66434313419147 0.25000000000000 63.546 > 10 *81 Rb 0.12500000000000 0.39465301895096 0.25000000000000 85.468 > 11 82 Rb 0.37500000000000 0.39465301895096 0.25000000000000 85.468 > 11 83 Rb 0.62500000000000 0.39465301895096 0.25000000000000 85.468 > 11 84 Rb 0.87500000000000 0.39465301895096 0.25000000000000 85.468 > 11 85 Rb 0.00000000000000 0.10534698104904 0.75000000000000 85.468 > 12 86 Rb 0.25000000000000 0.10534698104904 0.75000000000000 85.468 > 12 87 Rb 0.50000000000000 0.10534698104904 0.75000000000000 85.468 > 12 88 Rb 0.75000000000000 0.10534698104904 0.75000000000000 85.468 > 12 89 Rb 0.00000000000000 0.89465301895096 0.25000000000000 85.468 > 11 90 Rb 0.25000000000000 0.89465301895096 0.25000000000000 85.468 > 11 91 Rb 0.50000000000000 0.89465301895096 0.25000000000000 85.468 > 11 92 Rb 0.75000000000000 0.89465301895096 0.25000000000000 85.468 > 11 93 Rb 0.12500000000000 0.60534698104904 0.75000000000000 85.468 > 12 94 Rb 0.37500000000000 0.60534698104904 0.75000000000000 85.468 > 12 95 Rb 0.62500000000000 0.60534698104904 0.75000000000000 85.468 > 12 96 Rb 0.87500000000000 0.60534698104904 0.75000000000000 85.468 > 12 *97 Nd 0.00000000000000 0.36569726023441 0.93936878533317 144.242 > 13 98 Nd 0.25000000000000 0.36569726023441 0.93936878533317 144.242 > 13 99 Nd 0.50000000000000 0.36569726023441 0.93936878533317 144.242 > 13 100 Nd 0.75000000000000 0.36569726023441 0.93936878533317 144.242 > 13 101 Nd 0.12500000000000 0.13430273976559 0.43936878533316 144.242 > 14 102 Nd 0.37500000000000 0.13430273976559 0.43936878533316 144.242 > 14 103 Nd 0.62500000000000 0.13430273976559 0.43936878533316 144.242 > 14 104 Nd 0.87500000000000 0.13430273976559 0.43936878533316 144.242 > 14 105 Nd 0.00000000000000 0.36569726023441 0.56063121466683 144.242 > 15 106 Nd 0.25000000000000 0.36569726023441 0.56063121466683 144.242 > 15 107 Nd 0.50000000000000 0.36569726023441 0.56063121466683 144.242 > 15 108 Nd 0.75000000000000 0.36569726023441 0.56063121466683 144.242 > 15 109 Nd 0.12500000000000 0.13430273976559 0.06063121466683 144.242 > 16 110 Nd 0.37500000000000 0.13430273976559 0.06063121466683 144.242 > 16 111 Nd 0.62500000000000 0.13430273976559 0.06063121466683 144.242 > 16 112 Nd 0.87500000000000 0.13430273976559 0.06063121466683 144.242 > 16 113 Nd 0.12500000000000 0.86569726023441 0.93936878533317 144.242 > 13 114 Nd 0.37500000000000 0.86569726023441 0.93936878533317 144.242 > 13 115 Nd 0.62500000000000 0.86569726023441 0.93936878533317 144.242 > 13 116 Nd 0.87500000000000 0.86569726023441 0.93936878533317 144.242 > 13 117 Nd 0.00000000000000 0.63430273976559 0.43936878533316 144.242 > 14 118 Nd 0.25000000000000 0.63430273976559 0.43936878533316 144.242 > 14 119 Nd 0.50000000000000 0.63430273976559 0.43936878533316 144.242 > 14 120 Nd 0.75000000000000 0.63430273976559 0.43936878533316 144.242 > 14 121 Nd 0.12500000000000 0.86569726023441 0.56063121466683 144.242 > 15 122 Nd 0.37500000000000 0.86569726023441 0.56063121466683 144.242 > 15 123 Nd 0.62500000000000 0.86569726023441 0.56063121466683 144.242 > 15 124 Nd 0.87500000000000 0.86569726023441 0.56063121466683 144.242 > 15 125 Nd 0.00000000000000 0.63430273976559 0.06063121466683 144.242 > 16 126 Nd 0.25000000000000 0.63430273976559 0.06063121466683 144.242 > 16 127 Nd 0.50000000000000 0.63430273976559 0.06063121466683 144.242 > 16 128 Nd 0.75000000000000 0.63430273976559 0.06063121466683 144.242 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4294632 0.0000000 0.0000000 0.0000000 6.0761688 0.0000000 0.0000000 0.0000000 8.0710905 -------------------------- Born effective charges -------------------------- 1 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 0.9406218 0.0000000 0.8689550 -1.6165477 2 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 -0.9406218 0.0000000 -0.8689550 -1.6165477 3 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 4 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 5 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 6 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 7 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 8 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 9 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 10 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 11 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 12 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 13 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 14 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 15 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 16 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.980 Solver_block: 200 / 240 - Time: 1.985 Solver_block: 240 / 240 - Time: 0.841 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.903 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1333 Number of blocks in projector: 1333 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 225 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 216 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 162 Use standard eigh solver. Tree of FC basis block matrices: - (1333, 1309), data: False |-- (162, 162), data: True |-- (216, 216), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (225, 219), data: True |-- (280, 274), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:46:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016976405000000 -6.989684425000000 0.000000000000000 b 2.016976405000000 6.989684425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 3 S 0.42372522935373 0.57627477064627 0.25000000000000 32.065 4 S 0.57627477064627 0.42372522935373 0.75000000000000 32.065 5 S 0.73989179743183 0.26010820256817 0.38657379455073 32.065 6 S 0.26010820256817 0.73989179743183 0.88657379455073 32.065 7 S 0.26010820256817 0.73989179743183 0.61342620544927 32.065 8 S 0.73989179743183 0.26010820256817 0.11342620544927 32.065 9 Cu 0.16434313419147 0.83565686580853 0.75000000000000 63.546 10 Cu 0.83565686580853 0.16434313419147 0.25000000000000 63.546 11 Rb 0.10534698104904 0.89465301895096 0.25000000000000 85.468 12 Rb 0.89465301895096 0.10534698104904 0.75000000000000 85.468 13 Nd 0.63430273976559 0.36569726023441 0.93936878533317 144.242 14 Nd 0.36569726023441 0.63430273976559 0.43936878533316 144.242 15 Nd 0.63430273976559 0.36569726023441 0.56063121466683 144.242 16 Nd 0.36569726023441 0.63430273976559 0.06063121466683 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.135811239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.979368850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 5 9 S 0.12500000000000 0.07627477064627 0.25000000000000 32.065 > 9 10 S 0.37500000000000 0.07627477064627 0.25000000000000 32.065 > 9 11 S 0.62500000000000 0.07627477064627 0.25000000000000 32.065 > 9 12 S 0.87500000000000 0.07627477064627 0.25000000000000 32.065 > 9 13 S 0.00000000000000 0.42372522935373 0.75000000000000 32.065 > 13 14 S 0.25000000000000 0.42372522935373 0.75000000000000 32.065 > 13 15 S 0.50000000000000 0.42372522935373 0.75000000000000 32.065 > 13 16 S 0.75000000000000 0.42372522935373 0.75000000000000 32.065 > 13 17 S 0.00000000000000 0.26010820256817 0.38657379455073 32.065 > 17 18 S 0.25000000000000 0.26010820256817 0.38657379455073 32.065 > 17 19 S 0.50000000000000 0.26010820256817 0.38657379455073 32.065 > 17 20 S 0.75000000000000 0.26010820256817 0.38657379455073 32.065 > 17 21 S 0.12500000000000 0.23989179743183 0.88657379455073 32.065 > 21 22 S 0.37500000000000 0.23989179743183 0.88657379455073 32.065 > 21 23 S 0.62500000000000 0.23989179743183 0.88657379455073 32.065 > 21 24 S 0.87500000000000 0.23989179743183 0.88657379455073 32.065 > 21 25 S 0.12500000000000 0.23989179743183 0.61342620544927 32.065 > 25 26 S 0.37500000000000 0.23989179743183 0.61342620544927 32.065 > 25 27 S 0.62500000000000 0.23989179743183 0.61342620544927 32.065 > 25 28 S 0.87500000000000 0.23989179743183 0.61342620544927 32.065 > 25 29 S 0.00000000000000 0.26010820256817 0.11342620544927 32.065 > 29 30 S 0.25000000000000 0.26010820256817 0.11342620544927 32.065 > 29 31 S 0.50000000000000 0.26010820256817 0.11342620544927 32.065 > 29 32 S 0.75000000000000 0.26010820256817 0.11342620544927 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 5 41 S 0.00000000000000 0.57627477064627 0.25000000000000 32.065 > 9 42 S 0.25000000000000 0.57627477064627 0.25000000000000 32.065 > 9 43 S 0.50000000000000 0.57627477064627 0.25000000000000 32.065 > 9 44 S 0.75000000000000 0.57627477064627 0.25000000000000 32.065 > 9 45 S 0.12500000000000 0.92372522935373 0.75000000000000 32.065 > 13 46 S 0.37500000000000 0.92372522935373 0.75000000000000 32.065 > 13 47 S 0.62500000000000 0.92372522935373 0.75000000000000 32.065 > 13 48 S 0.87500000000000 0.92372522935373 0.75000000000000 32.065 > 13 49 S 0.12500000000000 0.76010820256817 0.38657379455073 32.065 > 17 50 S 0.37500000000000 0.76010820256817 0.38657379455073 32.065 > 17 51 S 0.62500000000000 0.76010820256817 0.38657379455073 32.065 > 17 52 S 0.87500000000000 0.76010820256817 0.38657379455073 32.065 > 17 53 S 0.00000000000000 0.73989179743183 0.88657379455073 32.065 > 21 54 S 0.25000000000000 0.73989179743183 0.88657379455073 32.065 > 21 55 S 0.50000000000000 0.73989179743183 0.88657379455073 32.065 > 21 56 S 0.75000000000000 0.73989179743183 0.88657379455073 32.065 > 21 57 S 0.00000000000000 0.73989179743183 0.61342620544927 32.065 > 25 58 S 0.25000000000000 0.73989179743183 0.61342620544927 32.065 > 25 59 S 0.50000000000000 0.73989179743183 0.61342620544927 32.065 > 25 60 S 0.75000000000000 0.73989179743183 0.61342620544927 32.065 > 25 61 S 0.12500000000000 0.76010820256817 0.11342620544927 32.065 > 29 62 S 0.37500000000000 0.76010820256817 0.11342620544927 32.065 > 29 63 S 0.62500000000000 0.76010820256817 0.11342620544927 32.065 > 29 64 S 0.87500000000000 0.76010820256817 0.11342620544927 32.065 > 29 65 Cu 0.12500000000000 0.33565686580853 0.75000000000000 63.546 > 65 66 Cu 0.37500000000000 0.33565686580853 0.75000000000000 63.546 > 65 67 Cu 0.62500000000000 0.33565686580853 0.75000000000000 63.546 > 65 68 Cu 0.87500000000000 0.33565686580853 0.75000000000000 63.546 > 65 69 Cu 0.00000000000000 0.16434313419147 0.25000000000000 63.546 > 69 70 Cu 0.25000000000000 0.16434313419147 0.25000000000000 63.546 > 69 71 Cu 0.50000000000000 0.16434313419147 0.25000000000000 63.546 > 69 72 Cu 0.75000000000000 0.16434313419147 0.25000000000000 63.546 > 69 73 Cu 0.00000000000000 0.83565686580853 0.75000000000000 63.546 > 65 74 Cu 0.25000000000000 0.83565686580853 0.75000000000000 63.546 > 65 75 Cu 0.50000000000000 0.83565686580853 0.75000000000000 63.546 > 65 76 Cu 0.75000000000000 0.83565686580853 0.75000000000000 63.546 > 65 77 Cu 0.12500000000000 0.66434313419147 0.25000000000000 63.546 > 69 78 Cu 0.37500000000000 0.66434313419147 0.25000000000000 63.546 > 69 79 Cu 0.62500000000000 0.66434313419147 0.25000000000000 63.546 > 69 80 Cu 0.87500000000000 0.66434313419147 0.25000000000000 63.546 > 69 81 Rb 0.12500000000000 0.39465301895096 0.25000000000000 85.468 > 81 82 Rb 0.37500000000000 0.39465301895096 0.25000000000000 85.468 > 81 83 Rb 0.62500000000000 0.39465301895096 0.25000000000000 85.468 > 81 84 Rb 0.87500000000000 0.39465301895096 0.25000000000000 85.468 > 81 85 Rb 0.00000000000000 0.10534698104904 0.75000000000000 85.468 > 85 86 Rb 0.25000000000000 0.10534698104904 0.75000000000000 85.468 > 85 87 Rb 0.50000000000000 0.10534698104904 0.75000000000000 85.468 > 85 88 Rb 0.75000000000000 0.10534698104904 0.75000000000000 85.468 > 85 89 Rb 0.00000000000000 0.89465301895096 0.25000000000000 85.468 > 81 90 Rb 0.25000000000000 0.89465301895096 0.25000000000000 85.468 > 81 91 Rb 0.50000000000000 0.89465301895096 0.25000000000000 85.468 > 81 92 Rb 0.75000000000000 0.89465301895096 0.25000000000000 85.468 > 81 93 Rb 0.12500000000000 0.60534698104904 0.75000000000000 85.468 > 85 94 Rb 0.37500000000000 0.60534698104904 0.75000000000000 85.468 > 85 95 Rb 0.62500000000000 0.60534698104904 0.75000000000000 85.468 > 85 96 Rb 0.87500000000000 0.60534698104904 0.75000000000000 85.468 > 85 97 Nd 0.00000000000000 0.36569726023441 0.93936878533317 144.242 > 97 98 Nd 0.25000000000000 0.36569726023441 0.93936878533317 144.242 > 97 99 Nd 0.50000000000000 0.36569726023441 0.93936878533317 144.242 > 97 100 Nd 0.75000000000000 0.36569726023441 0.93936878533317 144.242 > 97 101 Nd 0.12500000000000 0.13430273976559 0.43936878533316 144.242 > 101 102 Nd 0.37500000000000 0.13430273976559 0.43936878533316 144.242 > 101 103 Nd 0.62500000000000 0.13430273976559 0.43936878533316 144.242 > 101 104 Nd 0.87500000000000 0.13430273976559 0.43936878533316 144.242 > 101 105 Nd 0.00000000000000 0.36569726023441 0.56063121466683 144.242 > 105 106 Nd 0.25000000000000 0.36569726023441 0.56063121466683 144.242 > 105 107 Nd 0.50000000000000 0.36569726023441 0.56063121466683 144.242 > 105 108 Nd 0.75000000000000 0.36569726023441 0.56063121466683 144.242 > 105 109 Nd 0.12500000000000 0.13430273976559 0.06063121466683 144.242 > 109 110 Nd 0.37500000000000 0.13430273976559 0.06063121466683 144.242 > 109 111 Nd 0.62500000000000 0.13430273976559 0.06063121466683 144.242 > 109 112 Nd 0.87500000000000 0.13430273976559 0.06063121466683 144.242 > 109 113 Nd 0.12500000000000 0.86569726023441 0.93936878533317 144.242 > 97 114 Nd 0.37500000000000 0.86569726023441 0.93936878533317 144.242 > 97 115 Nd 0.62500000000000 0.86569726023441 0.93936878533317 144.242 > 97 116 Nd 0.87500000000000 0.86569726023441 0.93936878533317 144.242 > 97 117 Nd 0.00000000000000 0.63430273976559 0.43936878533316 144.242 > 101 118 Nd 0.25000000000000 0.63430273976559 0.43936878533316 144.242 > 101 119 Nd 0.50000000000000 0.63430273976559 0.43936878533316 144.242 > 101 120 Nd 0.75000000000000 0.63430273976559 0.43936878533316 144.242 > 101 121 Nd 0.12500000000000 0.86569726023441 0.56063121466683 144.242 > 105 122 Nd 0.37500000000000 0.86569726023441 0.56063121466683 144.242 > 105 123 Nd 0.62500000000000 0.86569726023441 0.56063121466683 144.242 > 105 124 Nd 0.87500000000000 0.86569726023441 0.56063121466683 144.242 > 105 125 Nd 0.00000000000000 0.63430273976559 0.06063121466683 144.242 > 109 126 Nd 0.25000000000000 0.63430273976559 0.06063121466683 144.242 > 109 127 Nd 0.50000000000000 0.63430273976559 0.06063121466683 144.242 > 109 128 Nd 0.75000000000000 0.63430273976559 0.06063121466683 144.242 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4294632 0.0000000 0.0000000 0.0000000 6.0761688 0.0000000 0.0000000 0.0000000 8.0710905 -------------------------- Born effective charges -------------------------- 1 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 0.9406218 0.0000000 0.8689550 -1.6165477 2 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 -0.9406218 0.0000000 -0.8689550 -1.6165477 3 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 4 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 5 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 6 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 7 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 8 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 9 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 10 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 11 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 12 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 13 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 14 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 15 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 16 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:46:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [4 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.016976405000000 -6.989684425000000 0.000000000000000 b 2.016976405000000 6.989684425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 2 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 3 S 0.42372522935373 0.57627477064627 0.25000000000000 32.065 4 S 0.57627477064627 0.42372522935373 0.75000000000000 32.065 5 S 0.73989179743183 0.26010820256817 0.38657379455073 32.065 6 S 0.26010820256817 0.73989179743183 0.88657379455073 32.065 7 S 0.26010820256817 0.73989179743183 0.61342620544927 32.065 8 S 0.73989179743183 0.26010820256817 0.11342620544927 32.065 9 Cu 0.16434313419147 0.83565686580853 0.75000000000000 63.546 10 Cu 0.83565686580853 0.16434313419147 0.25000000000000 63.546 11 Rb 0.10534698104904 0.89465301895096 0.25000000000000 85.468 12 Rb 0.89465301895096 0.10534698104904 0.75000000000000 85.468 13 Nd 0.63430273976559 0.36569726023441 0.93936878533317 144.242 14 Nd 0.36569726023441 0.63430273976559 0.43936878533316 144.242 15 Nd 0.63430273976559 0.36569726023441 0.56063121466683 144.242 16 Nd 0.36569726023441 0.63430273976559 0.06063121466683 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.135811239999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.979368850000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.866451150000000 Atomic positions (fractional): 1 S 0.00000000000000 0.00000000000000 0.50000000000000 32.065 > 1 2 S 0.25000000000000 0.00000000000000 0.50000000000000 32.065 > 1 3 S 0.50000000000000 0.00000000000000 0.50000000000000 32.065 > 1 4 S 0.75000000000000 0.00000000000000 0.50000000000000 32.065 > 1 5 S 0.00000000000000 0.00000000000000 0.00000000000000 32.065 > 5 6 S 0.25000000000000 0.00000000000000 0.00000000000000 32.065 > 5 7 S 0.50000000000000 0.00000000000000 0.00000000000000 32.065 > 5 8 S 0.75000000000000 0.00000000000000 0.00000000000000 32.065 > 5 9 S 0.12500000000000 0.07627477064627 0.25000000000000 32.065 > 9 10 S 0.37500000000000 0.07627477064627 0.25000000000000 32.065 > 9 11 S 0.62500000000000 0.07627477064627 0.25000000000000 32.065 > 9 12 S 0.87500000000000 0.07627477064627 0.25000000000000 32.065 > 9 13 S 0.00000000000000 0.42372522935373 0.75000000000000 32.065 > 13 14 S 0.25000000000000 0.42372522935373 0.75000000000000 32.065 > 13 15 S 0.50000000000000 0.42372522935373 0.75000000000000 32.065 > 13 16 S 0.75000000000000 0.42372522935373 0.75000000000000 32.065 > 13 17 S 0.00000000000000 0.26010820256817 0.38657379455073 32.065 > 17 18 S 0.25000000000000 0.26010820256817 0.38657379455073 32.065 > 17 19 S 0.50000000000000 0.26010820256817 0.38657379455073 32.065 > 17 20 S 0.75000000000000 0.26010820256817 0.38657379455073 32.065 > 17 21 S 0.12500000000000 0.23989179743183 0.88657379455073 32.065 > 21 22 S 0.37500000000000 0.23989179743183 0.88657379455073 32.065 > 21 23 S 0.62500000000000 0.23989179743183 0.88657379455073 32.065 > 21 24 S 0.87500000000000 0.23989179743183 0.88657379455073 32.065 > 21 25 S 0.12500000000000 0.23989179743183 0.61342620544927 32.065 > 25 26 S 0.37500000000000 0.23989179743183 0.61342620544927 32.065 > 25 27 S 0.62500000000000 0.23989179743183 0.61342620544927 32.065 > 25 28 S 0.87500000000000 0.23989179743183 0.61342620544927 32.065 > 25 29 S 0.00000000000000 0.26010820256817 0.11342620544927 32.065 > 29 30 S 0.25000000000000 0.26010820256817 0.11342620544927 32.065 > 29 31 S 0.50000000000000 0.26010820256817 0.11342620544927 32.065 > 29 32 S 0.75000000000000 0.26010820256817 0.11342620544927 32.065 > 29 33 S 0.12500000000000 0.50000000000000 0.50000000000000 32.065 > 1 34 S 0.37500000000000 0.50000000000000 0.50000000000000 32.065 > 1 35 S 0.62500000000000 0.50000000000000 0.50000000000000 32.065 > 1 36 S 0.87500000000000 0.50000000000000 0.50000000000000 32.065 > 1 37 S 0.12500000000000 0.50000000000000 0.00000000000000 32.065 > 5 38 S 0.37500000000000 0.50000000000000 0.00000000000000 32.065 > 5 39 S 0.62500000000000 0.50000000000000 0.00000000000000 32.065 > 5 40 S 0.87500000000000 0.50000000000000 0.00000000000000 32.065 > 5 41 S 0.00000000000000 0.57627477064627 0.25000000000000 32.065 > 9 42 S 0.25000000000000 0.57627477064627 0.25000000000000 32.065 > 9 43 S 0.50000000000000 0.57627477064627 0.25000000000000 32.065 > 9 44 S 0.75000000000000 0.57627477064627 0.25000000000000 32.065 > 9 45 S 0.12500000000000 0.92372522935373 0.75000000000000 32.065 > 13 46 S 0.37500000000000 0.92372522935373 0.75000000000000 32.065 > 13 47 S 0.62500000000000 0.92372522935373 0.75000000000000 32.065 > 13 48 S 0.87500000000000 0.92372522935373 0.75000000000000 32.065 > 13 49 S 0.12500000000000 0.76010820256817 0.38657379455073 32.065 > 17 50 S 0.37500000000000 0.76010820256817 0.38657379455073 32.065 > 17 51 S 0.62500000000000 0.76010820256817 0.38657379455073 32.065 > 17 52 S 0.87500000000000 0.76010820256817 0.38657379455073 32.065 > 17 53 S 0.00000000000000 0.73989179743183 0.88657379455073 32.065 > 21 54 S 0.25000000000000 0.73989179743183 0.88657379455073 32.065 > 21 55 S 0.50000000000000 0.73989179743183 0.88657379455073 32.065 > 21 56 S 0.75000000000000 0.73989179743183 0.88657379455073 32.065 > 21 57 S 0.00000000000000 0.73989179743183 0.61342620544927 32.065 > 25 58 S 0.25000000000000 0.73989179743183 0.61342620544927 32.065 > 25 59 S 0.50000000000000 0.73989179743183 0.61342620544927 32.065 > 25 60 S 0.75000000000000 0.73989179743183 0.61342620544927 32.065 > 25 61 S 0.12500000000000 0.76010820256817 0.11342620544927 32.065 > 29 62 S 0.37500000000000 0.76010820256817 0.11342620544927 32.065 > 29 63 S 0.62500000000000 0.76010820256817 0.11342620544927 32.065 > 29 64 S 0.87500000000000 0.76010820256817 0.11342620544927 32.065 > 29 65 Cu 0.12500000000000 0.33565686580853 0.75000000000000 63.546 > 65 66 Cu 0.37500000000000 0.33565686580853 0.75000000000000 63.546 > 65 67 Cu 0.62500000000000 0.33565686580853 0.75000000000000 63.546 > 65 68 Cu 0.87500000000000 0.33565686580853 0.75000000000000 63.546 > 65 69 Cu 0.00000000000000 0.16434313419147 0.25000000000000 63.546 > 69 70 Cu 0.25000000000000 0.16434313419147 0.25000000000000 63.546 > 69 71 Cu 0.50000000000000 0.16434313419147 0.25000000000000 63.546 > 69 72 Cu 0.75000000000000 0.16434313419147 0.25000000000000 63.546 > 69 73 Cu 0.00000000000000 0.83565686580853 0.75000000000000 63.546 > 65 74 Cu 0.25000000000000 0.83565686580853 0.75000000000000 63.546 > 65 75 Cu 0.50000000000000 0.83565686580853 0.75000000000000 63.546 > 65 76 Cu 0.75000000000000 0.83565686580853 0.75000000000000 63.546 > 65 77 Cu 0.12500000000000 0.66434313419147 0.25000000000000 63.546 > 69 78 Cu 0.37500000000000 0.66434313419147 0.25000000000000 63.546 > 69 79 Cu 0.62500000000000 0.66434313419147 0.25000000000000 63.546 > 69 80 Cu 0.87500000000000 0.66434313419147 0.25000000000000 63.546 > 69 81 Rb 0.12500000000000 0.39465301895096 0.25000000000000 85.468 > 81 82 Rb 0.37500000000000 0.39465301895096 0.25000000000000 85.468 > 81 83 Rb 0.62500000000000 0.39465301895096 0.25000000000000 85.468 > 81 84 Rb 0.87500000000000 0.39465301895096 0.25000000000000 85.468 > 81 85 Rb 0.00000000000000 0.10534698104904 0.75000000000000 85.468 > 85 86 Rb 0.25000000000000 0.10534698104904 0.75000000000000 85.468 > 85 87 Rb 0.50000000000000 0.10534698104904 0.75000000000000 85.468 > 85 88 Rb 0.75000000000000 0.10534698104904 0.75000000000000 85.468 > 85 89 Rb 0.00000000000000 0.89465301895096 0.25000000000000 85.468 > 81 90 Rb 0.25000000000000 0.89465301895096 0.25000000000000 85.468 > 81 91 Rb 0.50000000000000 0.89465301895096 0.25000000000000 85.468 > 81 92 Rb 0.75000000000000 0.89465301895096 0.25000000000000 85.468 > 81 93 Rb 0.12500000000000 0.60534698104904 0.75000000000000 85.468 > 85 94 Rb 0.37500000000000 0.60534698104904 0.75000000000000 85.468 > 85 95 Rb 0.62500000000000 0.60534698104904 0.75000000000000 85.468 > 85 96 Rb 0.87500000000000 0.60534698104904 0.75000000000000 85.468 > 85 97 Nd 0.00000000000000 0.36569726023441 0.93936878533317 144.242 > 97 98 Nd 0.25000000000000 0.36569726023441 0.93936878533317 144.242 > 97 99 Nd 0.50000000000000 0.36569726023441 0.93936878533317 144.242 > 97 100 Nd 0.75000000000000 0.36569726023441 0.93936878533317 144.242 > 97 101 Nd 0.12500000000000 0.13430273976559 0.43936878533316 144.242 > 101 102 Nd 0.37500000000000 0.13430273976559 0.43936878533316 144.242 > 101 103 Nd 0.62500000000000 0.13430273976559 0.43936878533316 144.242 > 101 104 Nd 0.87500000000000 0.13430273976559 0.43936878533316 144.242 > 101 105 Nd 0.00000000000000 0.36569726023441 0.56063121466683 144.242 > 105 106 Nd 0.25000000000000 0.36569726023441 0.56063121466683 144.242 > 105 107 Nd 0.50000000000000 0.36569726023441 0.56063121466683 144.242 > 105 108 Nd 0.75000000000000 0.36569726023441 0.56063121466683 144.242 > 105 109 Nd 0.12500000000000 0.13430273976559 0.06063121466683 144.242 > 109 110 Nd 0.37500000000000 0.13430273976559 0.06063121466683 144.242 > 109 111 Nd 0.62500000000000 0.13430273976559 0.06063121466683 144.242 > 109 112 Nd 0.87500000000000 0.13430273976559 0.06063121466683 144.242 > 109 113 Nd 0.12500000000000 0.86569726023441 0.93936878533317 144.242 > 97 114 Nd 0.37500000000000 0.86569726023441 0.93936878533317 144.242 > 97 115 Nd 0.62500000000000 0.86569726023441 0.93936878533317 144.242 > 97 116 Nd 0.87500000000000 0.86569726023441 0.93936878533317 144.242 > 97 117 Nd 0.00000000000000 0.63430273976559 0.43936878533316 144.242 > 101 118 Nd 0.25000000000000 0.63430273976559 0.43936878533316 144.242 > 101 119 Nd 0.50000000000000 0.63430273976559 0.43936878533316 144.242 > 101 120 Nd 0.75000000000000 0.63430273976559 0.43936878533316 144.242 > 101 121 Nd 0.12500000000000 0.86569726023441 0.56063121466683 144.242 > 105 122 Nd 0.37500000000000 0.86569726023441 0.56063121466683 144.242 > 105 123 Nd 0.62500000000000 0.86569726023441 0.56063121466683 144.242 > 105 124 Nd 0.87500000000000 0.86569726023441 0.56063121466683 144.242 > 105 125 Nd 0.00000000000000 0.63430273976559 0.06063121466683 144.242 > 109 126 Nd 0.25000000000000 0.63430273976559 0.06063121466683 144.242 > 109 127 Nd 0.50000000000000 0.63430273976559 0.06063121466683 144.242 > 109 128 Nd 0.75000000000000 0.63430273976559 0.06063121466683 144.242 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4294632 0.0000000 0.0000000 0.0000000 6.0761688 0.0000000 0.0000000 0.0000000 8.0710905 -------------------------- Born effective charges -------------------------- 1 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 0.9406218 0.0000000 0.8689550 -1.6165477 2 S -4.0227993 0.0000000 0.0000000 0.0000000 -3.2314681 -0.9406218 0.0000000 -0.8689550 -1.6165477 3 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 4 S -1.7318951 0.0000000 0.0000000 0.0000000 -1.3694727 0.0000000 0.0000000 0.0000000 -3.6411450 5 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 6 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 7 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 -0.3932658 0.0000000 -0.6802642 -2.7900635 8 S -2.6615974 0.0000000 0.0000000 0.0000000 -2.2128786 0.3932658 0.0000000 0.6802642 -2.7900635 9 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 10 Cu 0.5546826 0.0000000 0.0000000 0.0000000 0.3013643 0.0000000 0.0000000 0.0000000 0.1302526 11 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 12 Rb 1.1273917 0.0000000 0.0000000 0.0000000 1.6028941 0.0000000 0.0000000 0.0000000 1.2549024 13 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 14 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 15 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 0.0493762 0.0000000 0.2825850 4.7263323 16 Nd 4.6979074 0.0000000 0.0000000 0.0000000 3.5612198 -0.0493762 0.0000000 -0.2825850 4.7263323 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 0.000 0.000) 0.000 2.624 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.623 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.490 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.872 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.165 ( 0.000 0.000 0.000) 0.000 7.201 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 22.683 -5.463 0.000) 23.332 0.559 ( 28.284 -1.595 0.000) 28.329 0.967 ( 44.857 -13.066 0.000) 46.721 1.244 ( 9.651 -3.367 0.000) 10.222 1.547 ( 14.449 -1.624 0.000) 14.540 1.782 ( 9.362 -0.930 0.000) 9.408 2.057 ( 2.144 2.137 0.000) 3.027 2.058 ( 4.188 0.737 0.000) 4.253 2.178 ( -3.487 1.497 0.000) 3.794 2.275 ( 11.175 2.214 0.000) 11.392 2.380 ( -0.002 0.579 0.000) 0.579 2.419 ( 10.010 1.786 0.000) 10.168 2.560 ( 2.888 0.495 0.000) 2.930 2.563 ( 2.576 0.992 0.000) 2.760 2.644 ( 2.724 -1.151 0.000) 2.958 2.690 ( 7.659 -0.146 0.000) 7.661 2.823 ( 1.482 -3.932 0.000) 4.202 3.133 ( -1.841 2.239 0.000) 2.899 3.262 ( -1.737 0.921 0.000) 1.966 3.347 ( -1.955 -0.794 0.000) 2.110 3.496 ( -0.803 0.107 0.000) 0.810 3.622 ( -1.097 -3.032 0.000) 3.225 3.647 ( 0.687 0.164 0.000) 0.707 3.847 ( -1.438 -2.203 0.000) 2.631 3.904 ( -4.934 2.125 0.000) 5.373 4.093 ( -5.735 2.582 0.000) 6.290 5.717 ( 28.313 -0.182 0.000) 28.313 6.256 ( -3.996 -2.695 0.000) 4.820 6.272 ( -1.608 8.851 0.000) 8.996 6.439 ( 5.928 9.206 0.000) 10.949 6.527 ( 3.174 -3.737 0.000) 4.903 6.660 ( 4.429 5.064 0.000) 6.728 6.717 ( 1.634 -4.757 0.000) 5.030 6.772 ( -6.843 -0.311 0.000) 6.851 7.032 ( -3.371 1.788 0.000) 3.815 7.163 ( 7.298 5.178 0.000) 8.948 7.220 ( 6.971 4.776 0.000) 8.450 7.223 ( 2.068 -0.714 0.000) 2.188 7.300 ( 1.689 6.170 0.000) 6.397 7.467 ( -3.906 -2.139 0.000) 4.453 7.636 ( -2.849 -0.741 0.000) 2.943 7.811 ( -3.049 1.250 0.000) 3.295 8.442 ( -0.713 -8.126 0.000) 8.158 8.611 ( -1.068 0.088 0.000) 1.072 8.981 ( -0.515 0.162 0.000) 0.539 9.427 ( -1.536 1.429 0.000) 2.098 9.489 ( -5.697 -2.544 0.000) 6.239 9.658 ( -2.351 -1.478 0.000) 2.776 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 20.946 -3.981 0.000) 21.321 1.086 ( 26.386 0.498 0.000) 26.390 1.494 ( 13.382 -3.269 0.000) 13.775 1.756 ( 5.585 -0.556 0.000) 5.612 1.816 ( 36.145 -11.275 0.000) 37.863 1.999 ( 11.073 -2.752 0.000) 11.410 2.119 ( -1.624 1.756 0.000) 2.392 2.133 ( 7.127 3.155 0.000) 7.794 2.179 ( 6.432 0.222 0.000) 6.436 2.393 ( 2.498 3.334 0.000) 4.166 2.472 ( 7.997 0.091 0.000) 7.997 2.624 ( 4.434 3.970 0.000) 5.951 2.633 ( 13.488 2.301 0.000) 13.683 2.680 ( 11.398 0.661 0.000) 11.418 2.793 ( 12.866 -1.408 0.000) 12.943 2.819 ( 5.255 0.392 0.000) 5.269 2.934 ( 7.644 -5.382 0.000) 9.349 3.076 ( -2.190 2.346 0.000) 3.209 3.221 ( -2.189 0.125 0.000) 2.193 3.296 ( -3.929 -1.277 0.000) 4.131 3.482 ( -0.436 0.218 0.000) 0.488 3.608 ( -2.178 -2.504 0.000) 3.319 3.660 ( 0.822 1.021 0.000) 1.311 3.768 ( -7.396 1.937 0.000) 7.646 3.832 ( -0.882 -0.651 0.000) 1.096 3.929 ( -9.087 2.596 0.000) 9.450 6.192 ( 2.358 -0.084 0.000) 2.359 6.210 ( -1.674 0.388 0.000) 1.719 6.335 ( 24.778 -3.009 0.000) 24.960 6.472 ( -1.728 2.568 0.000) 3.095 6.597 ( 3.570 0.041 0.000) 3.570 6.649 ( -1.825 2.264 0.000) 2.908 6.706 ( 1.398 -0.411 0.000) 1.457 6.830 ( 5.926 -1.260 0.000) 6.058 6.965 ( -0.248 2.699 0.000) 2.710 7.177 ( 0.729 11.422 0.000) 11.446 7.283 ( 3.187 -1.702 0.000) 3.613 7.320 ( 3.364 4.767 0.000) 5.835 7.362 ( 1.445 -2.655 0.000) 3.023 7.431 ( 3.133 -3.333 0.000) 4.574 7.571 ( -3.717 -0.684 0.000) 3.779 7.725 ( -4.273 1.807 0.000) 4.639 8.464 ( -0.049 -0.316 0.000) 0.320 8.577 ( -2.557 0.083 0.000) 2.559 8.971 ( -0.246 0.310 0.000) 0.396 9.372 ( -7.303 -2.106 0.000) 7.601 9.384 ( -1.462 3.080 0.000) 3.410 9.607 ( -4.009 -2.775 0.000) 4.876 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 18.204 -2.299 0.000) 18.349 1.549 ( 22.935 2.872 0.000) 23.114 1.748 ( 10.856 -1.398 0.000) 10.946 1.815 ( 1.733 0.030 0.000) 1.733 2.108 ( 1.593 0.833 0.000) 1.797 2.203 ( 8.272 -3.305 0.000) 8.907 2.244 ( 1.136 -0.427 0.000) 1.213 2.275 ( 9.364 4.006 0.000) 10.186 2.375 ( 9.603 5.381 0.000) 11.008 2.475 ( 14.606 -6.075 0.000) 15.819 2.589 ( 5.171 -2.312 0.000) 5.664 2.671 ( 3.425 4.750 0.000) 5.856 2.868 ( 11.247 3.056 0.000) 11.655 2.897 ( 5.370 -1.444 0.000) 5.561 2.935 ( 6.507 0.754 0.000) 6.551 3.068 ( 6.078 -0.606 0.000) 6.108 3.073 ( 10.177 2.678 0.000) 10.523 3.124 ( 7.478 -2.943 0.000) 8.036 3.175 ( -2.348 0.044 0.000) 2.348 3.236 ( -1.143 -3.849 0.000) 4.015 3.491 ( 2.994 -0.125 0.000) 2.997 3.568 ( -1.509 0.427 0.000) 1.568 3.615 ( -5.566 0.597 0.000) 5.598 3.680 ( 0.332 0.438 0.000) 0.550 3.761 ( -5.757 -2.060 0.000) 6.115 3.835 ( 0.326 0.097 0.000) 0.340 6.212 ( 1.545 -1.298 0.000) 2.018 6.219 ( 1.804 -1.910 0.000) 2.627 6.367 ( -6.037 2.067 0.000) 6.381 6.578 ( -2.631 2.964 0.000) 3.963 6.636 ( 3.299 0.487 0.000) 3.335 6.667 ( 3.319 -0.059 0.000) 3.319 6.789 ( 5.640 0.384 0.000) 5.653 6.917 ( 1.572 -0.922 0.000) 1.823 7.111 ( 16.194 3.313 0.000) 16.529 7.123 ( -0.835 6.921 0.000) 6.971 7.269 ( -3.120 0.864 0.000) 3.237 7.336 ( 0.170 -3.524 0.000) 3.528 7.406 ( -0.721 -0.252 0.000) 0.764 7.486 ( -2.096 -2.976 0.000) 3.640 7.546 ( 2.155 0.230 0.000) 2.168 7.714 ( 5.801 1.625 0.000) 6.025 8.426 ( -2.415 6.340 0.000) 6.784 8.508 ( -4.614 -0.043 0.000) 4.614 8.973 ( 0.732 0.534 0.000) 0.906 9.255 ( -6.088 -2.896 0.000) 6.742 9.338 ( -1.231 4.918 0.000) 5.070 9.543 ( -4.368 -3.734 0.000) 5.747 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 13.964 -0.723 0.000) 13.983 1.833 ( 0.892 0.343 0.000) 0.956 1.907 ( 5.068 -0.859 0.000) 5.140 1.922 ( 18.168 4.390 0.000) 18.691 2.168 ( 4.191 1.544 0.000) 4.466 2.271 ( 2.219 -2.338 0.000) 3.224 2.341 ( 5.093 1.522 0.000) 5.316 2.394 ( 3.750 5.862 0.000) 6.959 2.432 ( 6.800 4.771 0.000) 8.307 2.657 ( 3.514 3.423 0.000) 4.906 2.664 ( 1.783 -0.977 0.000) 2.033 2.844 ( 9.974 -3.379 0.000) 10.531 2.949 ( -0.012 0.188 0.000) 0.189 2.962 ( 0.040 9.258 0.000) 9.258 2.981 ( 2.041 -2.784 0.000) 3.452 3.062 ( -2.847 1.078 0.000) 3.045 3.066 ( -6.985 -1.879 0.000) 7.234 3.186 ( 0.623 1.088 0.000) 1.254 3.260 ( 5.741 0.891 0.000) 5.810 3.267 ( -0.849 -3.083 0.000) 3.197 3.544 ( -2.349 -1.986 0.000) 3.076 3.630 ( 1.353 -8.875 0.000) 8.978 3.645 ( 5.347 1.089 0.000) 5.456 3.744 ( 10.930 -3.525 0.000) 11.484 3.767 ( 5.446 -0.575 0.000) 5.476 3.880 ( 7.351 -0.861 0.000) 7.402 6.245 ( -3.305 1.608 0.000) 3.676 6.274 ( 3.128 1.212 0.000) 3.355 6.281 ( 3.033 0.301 0.000) 3.048 6.509 ( -2.358 1.610 0.000) 2.855 6.665 ( 2.505 1.962 0.000) 3.182 6.725 ( 2.798 0.129 0.000) 2.801 6.887 ( 4.698 0.962 0.000) 4.795 6.899 ( -3.051 -0.757 0.000) 3.143 7.079 ( -0.150 3.721 0.000) 3.724 7.221 ( -1.882 1.085 0.000) 2.172 7.287 ( -1.174 -2.461 0.000) 2.727 7.311 ( -6.580 -1.572 0.000) 6.765 7.408 ( 8.718 1.307 0.000) 8.816 7.469 ( -1.689 -0.988 0.000) 1.957 7.639 ( 6.783 0.531 0.000) 6.804 7.831 ( 3.995 -2.338 0.000) 4.629 8.316 ( -3.554 10.095 0.000) 10.703 8.402 ( -6.532 -0.201 0.000) 6.536 8.990 ( 1.220 0.766 0.000) 1.441 9.175 ( -4.122 -3.069 0.000) 5.139 9.279 ( -1.863 5.296 0.000) 5.614 9.484 ( -4.021 -3.436 0.000) 5.289 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 3.866 -0.032 0.000) 3.866 1.854 ( 2.160 -0.025 0.000) 2.160 2.004 ( 5.955 -0.149 0.000) 5.957 2.180 ( 10.679 4.839 0.000) 11.724 2.208 ( 1.083 0.742 0.000) 1.313 2.371 ( 5.836 -2.230 0.000) 6.248 2.372 ( 2.768 7.672 0.000) 8.156 2.433 ( 2.127 2.382 0.000) 3.193 2.538 ( 5.940 2.288 0.000) 6.366 2.636 ( -0.303 5.521 0.000) 5.530 2.750 ( 3.582 -3.002 0.000) 4.674 2.843 ( -4.830 7.969 0.000) 9.319 2.855 ( -2.703 1.576 0.000) 3.129 2.957 ( -4.896 -4.554 0.000) 6.686 2.972 ( -5.894 0.851 0.000) 5.955 3.001 ( -1.235 -1.064 0.000) 1.631 3.055 ( 4.145 -2.402 0.000) 4.791 3.192 ( 0.928 -1.644 0.000) 1.888 3.288 ( 1.112 -1.766 0.000) 2.087 3.340 ( 3.566 1.129 0.000) 3.741 3.524 ( -1.181 -1.751 0.000) 2.113 3.649 ( -2.629 -8.212 0.000) 8.623 3.675 ( 1.061 1.332 0.000) 1.703 3.813 ( 1.474 3.869 0.000) 4.140 4.022 ( 11.979 -4.005 0.000) 12.631 4.157 ( 14.035 -4.968 0.000) 14.888 6.177 ( -2.020 1.708 0.000) 2.645 6.299 ( 0.830 4.147 0.000) 4.229 6.360 ( 4.186 0.849 0.000) 4.272 6.494 ( 1.428 0.296 0.000) 1.459 6.735 ( 5.579 1.100 0.000) 5.686 6.762 ( 0.940 0.629 0.000) 1.131 6.842 ( -3.155 -1.747 0.000) 3.606 6.950 ( 2.535 0.195 0.000) 2.543 7.098 ( 4.014 2.761 0.000) 4.871 7.157 ( -3.597 1.256 0.000) 3.810 7.223 ( -5.503 -0.626 0.000) 5.539 7.251 ( -0.979 -2.683 0.000) 2.857 7.418 ( -3.913 -0.821 0.000) 3.998 7.515 ( 2.832 0.690 0.000) 2.915 7.779 ( 8.079 0.513 0.000) 8.096 7.850 ( -3.051 -1.076 0.000) 3.235 8.217 ( -1.211 7.091 0.000) 7.194 8.264 ( -7.970 -0.249 0.000) 7.974 9.006 ( 0.878 0.711 0.000) 1.130 9.127 ( -2.474 -2.210 0.000) 3.317 9.219 ( -1.558 3.798 0.000) 4.105 9.427 ( -3.510 -2.260 0.000) 4.174 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.425 0.196 0.000) 0.468 1.883 ( 0.284 -0.514 0.000) 0.587 2.112 ( 4.104 0.949 0.000) 4.213 2.213 ( -0.337 -0.493 0.000) 0.597 2.250 ( 0.953 3.539 0.000) 3.665 2.411 ( 2.785 1.897 0.000) 3.370 2.447 ( 0.871 1.689 0.000) 1.900 2.484 ( 4.046 -1.481 0.000) 4.309 2.612 ( 0.114 1.865 0.000) 1.868 2.621 ( 3.031 0.986 0.000) 3.187 2.730 ( -3.045 3.786 0.000) 4.858 2.796 ( -0.459 -1.253 0.000) 1.334 2.855 ( 2.956 -0.362 0.000) 2.978 2.871 ( -3.390 0.001 0.000) 3.390 2.903 ( -1.839 -1.240 0.000) 2.218 2.957 ( -3.514 -0.884 0.000) 3.623 3.097 ( 0.270 -0.820 0.000) 0.863 3.228 ( 1.266 -0.658 0.000) 1.427 3.310 ( 0.484 -0.374 0.000) 0.611 3.385 ( 1.308 0.217 0.000) 1.326 3.515 ( -0.449 -0.613 0.000) 0.760 3.640 ( -1.416 -3.397 0.000) 3.680 3.684 ( 0.384 0.441 0.000) 0.584 3.813 ( 0.483 2.058 0.000) 2.114 4.198 ( 4.375 -1.501 0.000) 4.625 4.369 ( 5.284 -2.132 0.000) 5.697 6.148 ( -0.448 0.582 0.000) 0.735 6.283 ( -0.140 1.751 0.000) 1.756 6.414 ( 1.742 0.639 0.000) 1.856 6.530 ( 1.705 0.631 0.000) 1.818 6.759 ( -0.384 0.382 0.000) 0.542 6.806 ( -1.332 -1.173 0.000) 1.775 6.842 ( 4.792 -0.036 0.000) 4.792 6.996 ( 1.944 -0.386 0.000) 1.982 7.094 ( -2.218 0.655 0.000) 2.312 7.111 ( -4.863 0.538 0.000) 4.892 7.176 ( 4.279 1.567 0.000) 4.557 7.270 ( 0.868 -1.458 0.000) 1.697 7.341 ( -3.946 -0.755 0.000) 4.018 7.532 ( -0.020 0.079 0.000) 0.082 7.776 ( -2.880 0.773 0.000) 2.982 7.938 ( 8.739 0.383 0.000) 8.748 8.105 ( -8.755 -0.276 0.000) 8.759 8.184 ( -0.199 1.748 0.000) 1.759 9.014 ( 0.281 0.299 0.000) 0.410 9.104 ( -0.851 -0.791 0.000) 1.162 9.185 ( -0.475 1.365 0.000) 1.445 9.384 ( -1.557 -0.812 0.000) 1.756 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 21.979 0.000 0.000) 21.979 1.092 ( 27.165 0.000 0.000) 27.165 1.475 ( 14.210 0.000 0.000) 14.210 1.750 ( 38.437 0.000 0.000) 38.437 1.753 ( 6.060 0.000 0.000) 6.060 1.984 ( 10.895 0.000 0.000) 10.895 2.128 ( -2.084 -0.000 0.000) 2.084 2.151 ( 6.912 0.000 0.000) 6.912 2.180 ( 6.267 0.000 0.000) 6.267 2.412 ( 3.419 0.000 0.000) 3.419 2.473 ( 6.489 0.000 0.000) 6.489 2.646 ( 12.856 0.000 0.000) 12.856 2.646 ( 4.557 0.000 0.000) 4.557 2.684 ( 11.931 0.000 0.000) 11.931 2.784 ( 13.642 0.000 0.000) 13.642 2.820 ( 3.916 0.000 0.000) 3.916 2.901 ( 9.398 0.000 0.000) 9.398 3.090 ( -2.978 -0.000 0.000) 2.978 3.222 ( -2.664 -0.000 0.000) 2.664 3.289 ( -3.934 -0.000 0.000) 3.934 3.483 ( -0.444 -0.000 0.000) 0.444 3.593 ( -1.089 -0.000 0.000) 1.089 3.665 ( 1.036 0.000 0.000) 1.036 3.780 ( -8.114 -0.000 0.000) 8.114 3.828 ( -0.319 -0.000 0.000) 0.319 3.944 ( -10.163 -0.000 0.000) 10.163 6.191 ( -1.510 -0.000 0.000) 1.510 6.211 ( -2.815 -0.000 0.000) 2.815 6.319 ( 29.209 0.000 0.000) 29.209 6.487 ( -3.148 -0.000 0.000) 3.148 6.598 ( 4.136 0.000 0.000) 4.136 6.662 ( -2.271 -0.000 0.000) 2.271 6.703 ( 1.508 0.000 0.000) 1.508 6.822 ( 6.553 0.000 0.000) 6.553 6.982 ( -0.200 -0.000 0.000) 0.200 7.264 ( -1.857 -0.000 0.000) 1.857 7.273 ( 2.885 0.000 0.000) 2.885 7.318 ( 3.620 0.000 0.000) 3.620 7.361 ( -3.112 -0.000 0.000) 3.112 7.406 ( 6.723 0.000 0.000) 6.723 7.567 ( -3.481 -0.000 0.000) 3.481 7.738 ( -3.903 -0.000 0.000) 3.903 8.461 ( 2.211 0.000 0.000) 2.211 8.577 ( -2.589 -0.000 0.000) 2.589 8.973 ( -0.225 -0.000 0.000) 0.225 9.359 ( -7.236 -0.000 0.000) 7.236 9.402 ( -1.150 -0.000 0.000) 1.150 9.590 ( -4.170 -0.000 0.000) 4.170 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 19.151 -0.816 0.000) 19.169 1.576 ( 23.598 1.511 0.000) 23.647 1.738 ( 11.875 -0.508 0.000) 11.886 1.816 ( 1.684 0.020 0.000) 1.685 2.112 ( 1.036 0.105 0.000) 1.041 2.178 ( 9.014 -1.215 0.000) 9.095 2.242 ( 0.846 -0.044 0.000) 0.847 2.306 ( 9.335 1.527 0.000) 9.459 2.377 ( 25.320 -2.342 0.000) 25.428 2.479 ( 3.615 4.102 0.000) 5.468 2.553 ( 3.293 -3.485 0.000) 4.794 2.712 ( 2.639 2.018 0.000) 3.322 2.885 ( 3.554 -0.625 0.000) 3.608 2.890 ( 12.292 1.009 0.000) 12.333 2.940 ( 7.720 0.121 0.000) 7.721 3.062 ( 4.664 -0.336 0.000) 4.676 3.098 ( 7.142 -1.363 0.000) 7.270 3.098 ( 14.431 1.568 0.000) 14.516 3.181 ( 0.518 0.506 0.000) 0.724 3.202 ( -4.646 -1.959 0.000) 5.042 3.491 ( 2.452 -0.005 0.000) 2.452 3.572 ( -1.755 0.304 0.000) 1.781 3.620 ( -7.510 0.311 0.000) 7.517 3.684 ( 0.790 0.152 0.000) 0.804 3.745 ( -8.461 -0.843 0.000) 8.503 3.835 ( 1.054 -0.010 0.000) 1.054 6.200 ( 1.542 -0.612 0.000) 1.659 6.204 ( 2.585 -0.755 0.000) 2.693 6.383 ( -5.991 0.771 0.000) 6.041 6.599 ( -3.545 0.919 0.000) 3.662 6.641 ( 4.755 0.263 0.000) 4.762 6.667 ( 3.250 0.021 0.000) 3.250 6.791 ( 5.987 0.112 0.000) 5.988 6.910 ( 1.939 -0.341 0.000) 1.969 7.144 ( 16.243 2.147 0.000) 16.385 7.195 ( -3.228 6.062 0.000) 6.868 7.252 ( -3.790 -3.656 0.000) 5.266 7.302 ( -0.824 -2.114 0.000) 2.269 7.419 ( 0.040 2.466 0.000) 2.467 7.452 ( -1.358 -3.177 0.000) 3.455 7.548 ( 2.463 0.066 0.000) 2.464 7.727 ( 3.755 0.690 0.000) 3.818 8.476 ( -0.540 2.494 0.000) 2.551 8.508 ( -4.679 -0.017 0.000) 4.679 8.978 ( 0.899 0.296 0.000) 0.947 9.229 ( -6.323 -1.373 0.000) 6.470 9.383 ( -0.430 2.781 0.000) 2.814 9.507 ( -4.906 -2.350 0.000) 5.440 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 14.632 -0.373 0.000) 14.637 1.836 ( 0.841 0.188 0.000) 0.862 1.899 ( 5.063 -0.492 0.000) 5.087 1.964 ( 18.241 2.952 0.000) 18.478 2.183 ( 5.541 1.012 0.000) 5.633 2.250 ( 0.791 -1.496 0.000) 1.692 2.340 ( 7.278 -0.591 0.000) 7.302 2.459 ( 6.259 4.197 0.000) 7.536 2.491 ( 3.250 6.205 0.000) 7.005 2.613 ( 2.671 -4.598 0.000) 5.318 2.718 ( 1.754 4.100 0.000) 4.460 2.801 ( 13.025 -3.915 0.000) 13.600 2.939 ( -2.247 -2.049 0.000) 3.041 2.954 ( 2.451 -1.796 0.000) 3.039 3.053 ( 0.116 6.803 0.000) 6.804 3.071 ( -4.804 2.028 0.000) 5.214 3.072 ( -1.031 1.004 0.000) 1.439 3.199 ( -0.001 1.062 0.000) 1.062 3.230 ( -2.107 -3.597 0.000) 4.169 3.281 ( 6.310 3.135 0.000) 7.046 3.525 ( -2.737 -1.380 0.000) 3.065 3.527 ( -2.345 -8.909 0.000) 9.213 3.657 ( 9.715 1.110 0.000) 9.778 3.712 ( 6.009 -2.315 0.000) 6.439 3.764 ( 9.435 -0.127 0.000) 9.436 3.875 ( 4.070 -0.117 0.000) 4.071 6.260 ( 1.063 0.939 0.000) 1.418 6.283 ( -0.848 0.050 0.000) 0.849 6.285 ( 5.245 0.706 0.000) 5.293 6.522 ( -3.433 0.751 0.000) 3.515 6.684 ( 2.352 1.340 0.000) 2.707 6.726 ( 2.986 0.087 0.000) 2.987 6.892 ( -3.394 -0.464 0.000) 3.426 6.896 ( 4.640 0.577 0.000) 4.676 7.119 ( -1.131 3.405 0.000) 3.588 7.220 ( -1.529 -1.185 0.000) 1.934 7.264 ( -1.893 -1.506 0.000) 2.419 7.301 ( -7.605 -0.196 0.000) 7.608 7.419 ( 9.670 0.717 0.000) 9.697 7.459 ( -1.224 -0.696 0.000) 1.408 7.644 ( 6.775 0.297 0.000) 6.782 7.810 ( 3.180 -1.370 0.000) 3.463 8.400 ( -6.568 -0.116 0.000) 6.569 8.407 ( -3.810 6.108 0.000) 7.198 8.999 ( 1.451 0.906 0.000) 1.710 9.142 ( -4.046 -2.640 0.000) 4.832 9.337 ( -2.187 5.169 0.000) 5.613 9.442 ( -3.729 -4.102 0.000) 5.544 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.266 -0.010 0.000) 4.266 1.853 ( 1.277 -0.179 0.000) 1.289 2.004 ( 7.163 0.113 0.000) 7.164 2.218 ( 0.053 0.917 0.000) 0.919 2.228 ( 10.790 3.666 0.000) 11.396 2.347 ( 6.277 -1.958 0.000) 6.575 2.448 ( 4.113 3.677 0.000) 5.517 2.461 ( 0.532 5.186 0.000) 5.213 2.567 ( 4.258 2.774 0.000) 5.081 2.653 ( -1.263 -2.843 0.000) 3.110 2.744 ( 3.880 1.890 0.000) 4.316 2.888 ( -3.913 4.125 0.000) 5.686 2.911 ( -3.675 -3.390 0.000) 4.999 2.919 ( -6.171 5.071 0.000) 7.987 2.988 ( -1.240 -1.284 0.000) 1.785 2.989 ( -7.171 2.582 0.000) 7.621 3.032 ( 5.007 -1.171 0.000) 5.142 3.165 ( -0.256 -3.430 0.000) 3.440 3.263 ( 2.303 -2.541 0.000) 3.429 3.357 ( 3.007 1.859 0.000) 3.535 3.505 ( -0.677 -1.509 0.000) 1.654 3.547 ( -1.716 -9.115 0.000) 9.276 3.690 ( 0.570 1.299 0.000) 1.419 3.871 ( 3.338 5.834 0.000) 6.721 3.982 ( 13.053 -3.141 0.000) 13.425 4.099 ( 14.088 -5.351 0.000) 15.070 6.196 ( -2.542 1.608 0.000) 3.008 6.348 ( 1.390 4.676 0.000) 4.878 6.365 ( 4.418 0.183 0.000) 4.422 6.488 ( 0.593 -1.455 0.000) 1.571 6.744 ( 4.555 0.572 0.000) 4.591 6.769 ( 1.158 0.525 0.000) 1.271 6.827 ( -2.949 -0.977 0.000) 3.107 6.953 ( 2.162 0.437 0.000) 2.206 7.128 ( 3.375 2.581 0.000) 4.249 7.167 ( -4.317 0.501 0.000) 4.346 7.214 ( -4.250 -0.781 0.000) 4.321 7.224 ( -0.407 -2.298 0.000) 2.334 7.410 ( -3.999 -0.688 0.000) 4.058 7.523 ( 2.258 0.683 0.000) 2.359 7.784 ( 8.009 0.364 0.000) 8.017 7.835 ( -1.544 -1.315 0.000) 2.028 8.262 ( -7.960 -0.175 0.000) 7.962 8.290 ( -4.188 5.800 0.000) 7.153 9.017 ( 0.908 1.228 0.000) 1.527 9.100 ( -1.984 -2.643 0.000) 3.304 9.261 ( -2.775 3.729 0.000) 4.649 9.399 ( -2.756 -2.621 0.000) 3.804 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.260 0.220 0.000) 0.340 1.877 ( 0.717 -0.545 0.000) 0.900 2.126 ( 4.137 1.660 0.000) 4.458 2.207 ( -0.566 -0.674 0.000) 0.880 2.302 ( -0.608 5.463 0.000) 5.497 2.432 ( -0.033 2.172 0.000) 2.172 2.464 ( 4.358 -1.995 0.000) 4.793 2.468 ( -0.651 2.105 0.000) 2.203 2.607 ( -1.104 -1.367 0.000) 1.757 2.633 ( -0.083 -0.264 0.000) 0.277 2.774 ( -5.994 3.992 0.000) 7.202 2.791 ( 0.899 0.641 0.000) 1.104 2.848 ( 2.732 -0.678 0.000) 2.815 2.870 ( -3.494 -0.152 0.000) 3.497 2.899 ( 0.505 0.176 0.000) 0.535 2.943 ( -3.237 -1.610 0.000) 3.616 3.088 ( 1.179 -0.613 0.000) 1.329 3.218 ( 2.309 -1.370 0.000) 2.685 3.303 ( 0.878 -0.810 0.000) 1.194 3.385 ( 0.505 -0.200 0.000) 0.543 3.507 ( 0.181 -0.703 0.000) 0.726 3.567 ( -0.647 -7.540 0.000) 7.567 3.689 ( -0.085 0.536 0.000) 0.542 3.880 ( 1.796 7.912 0.000) 8.113 4.182 ( 6.052 -1.265 0.000) 6.183 4.337 ( 7.081 -3.441 0.000) 7.873 6.155 ( -1.157 0.583 0.000) 1.296 6.311 ( -1.611 3.200 0.000) 3.583 6.419 ( 1.087 0.193 0.000) 1.104 6.520 ( 0.114 -2.466 0.000) 2.468 6.764 ( -0.675 0.555 0.000) 0.874 6.802 ( 0.689 0.359 0.000) 0.777 6.842 ( 4.204 -0.178 0.000) 4.208 6.994 ( 2.113 0.007 0.000) 2.113 7.099 ( -2.642 0.277 0.000) 2.657 7.119 ( -4.694 0.787 0.000) 4.760 7.190 ( 2.719 0.984 0.000) 2.891 7.256 ( 2.408 -0.892 0.000) 2.568 7.332 ( -3.608 -0.839 0.000) 3.705 7.532 ( -0.334 -0.151 0.000) 0.367 7.783 ( -3.001 0.461 0.000) 3.036 7.942 ( 8.665 0.326 0.000) 8.671 8.102 ( -8.786 -0.224 0.000) 8.788 8.205 ( -2.395 2.019 0.000) 3.133 9.020 ( 0.016 0.682 0.000) 0.682 9.092 ( -0.094 -1.331 0.000) 1.334 9.200 ( -1.973 1.420 0.000) 2.431 9.374 ( -0.668 -0.972 0.000) 1.180 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -0.570 -0.148 0.000) 0.589 1.888 ( 0.055 0.345 0.000) 0.349 2.106 ( -4.367 -0.069 0.000) 4.368 2.218 ( 0.395 0.365 0.000) 0.538 2.228 ( -4.059 -0.483 0.000) 4.087 2.388 ( -5.730 -2.314 0.000) 6.179 2.434 ( -1.678 -0.440 0.000) 1.734 2.494 ( -2.859 0.154 0.000) 2.863 2.573 ( -2.963 -4.227 0.000) 5.162 2.612 ( -3.472 -1.329 0.000) 3.718 2.694 ( -0.603 -2.449 0.000) 2.522 2.814 ( 2.178 1.866 0.000) 2.868 2.856 ( -3.327 -0.060 0.000) 3.328 2.870 ( 3.265 -0.067 0.000) 3.266 2.924 ( 4.425 2.244 0.000) 4.961 2.963 ( 3.479 0.361 0.000) 3.498 3.105 ( 0.548 0.708 0.000) 0.895 3.235 ( -0.667 0.560 0.000) 0.872 3.311 ( -0.140 -0.077 0.000) 0.160 3.379 ( -1.561 -0.922 0.000) 1.813 3.520 ( 1.025 0.306 0.000) 1.070 3.614 ( 1.675 -5.848 0.000) 6.083 3.680 ( -0.777 -0.194 0.000) 0.801 3.859 ( 0.774 8.096 0.000) 8.133 4.214 ( -2.757 1.381 0.000) 3.084 4.383 ( -3.337 0.545 0.000) 3.381 6.143 ( -0.094 -0.445 0.000) 0.455 6.272 ( -1.438 -0.232 0.000) 1.456 6.405 ( -2.510 -0.988 0.000) 2.697 6.509 ( -2.327 -2.926 0.000) 3.739 6.756 ( 0.056 -0.086 0.000) 0.103 6.821 ( 0.379 1.053 0.000) 1.120 6.846 ( -3.135 0.889 0.000) 3.258 7.003 ( -1.637 0.923 0.000) 1.879 7.085 ( 1.570 -0.976 0.000) 1.848 7.108 ( 4.561 -0.053 0.000) 4.561 7.157 ( -5.255 -1.760 0.000) 5.542 7.286 ( 0.159 1.448 0.000) 1.456 7.349 ( 4.424 0.524 0.000) 4.455 7.530 ( -0.089 -0.339 0.000) 0.350 7.767 ( 1.976 -0.918 0.000) 2.179 7.934 ( -8.827 -0.350 0.000) 8.834 8.108 ( 8.728 0.265 0.000) 8.732 8.168 ( -1.565 -0.992 0.000) 1.853 9.013 ( -0.491 0.022 0.000) 0.492 9.109 ( 1.533 0.179 0.000) 1.544 9.171 ( -0.919 -1.047 0.000) 1.393 9.391 ( 2.320 0.512 0.000) 2.376 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -3.305 0.082 0.000) 3.306 1.853 ( -3.248 -0.298 0.000) 3.261 2.008 ( -4.809 0.575 0.000) 4.843 2.126 ( -10.517 -4.806 0.000) 11.563 2.202 ( -1.991 -0.444 0.000) 2.040 2.290 ( -4.816 -6.960 0.000) 8.464 2.395 ( -5.333 2.138 0.000) 5.746 2.405 ( -2.462 -2.526 0.000) 3.527 2.518 ( -6.167 -1.423 0.000) 6.329 2.563 ( -1.850 -7.027 0.000) 7.267 2.755 ( 2.934 -7.845 0.000) 8.375 2.785 ( -3.121 2.829 0.000) 4.212 2.853 ( 2.414 1.051 0.000) 2.633 2.965 ( 5.396 -0.592 0.000) 5.428 2.994 ( 3.444 1.158 0.000) 3.634 3.022 ( 3.698 3.597 0.000) 5.159 3.080 ( -2.929 2.223 0.000) 3.677 3.206 ( -1.380 0.979 0.000) 1.692 3.303 ( -0.344 1.027 0.000) 1.083 3.332 ( -3.612 -0.470 0.000) 3.643 3.541 ( 1.649 1.338 0.000) 2.124 3.662 ( -1.407 -0.890 0.000) 1.665 3.681 ( 2.345 -2.829 0.000) 3.675 3.826 ( 0.069 6.428 0.000) 6.428 4.067 ( -10.889 3.881 0.000) 11.560 4.207 ( -13.301 4.129 0.000) 13.927 6.160 ( 1.700 -1.135 0.000) 2.044 6.259 ( -0.948 -2.975 0.000) 3.122 6.346 ( -4.181 -1.652 0.000) 4.496 6.483 ( -1.284 -1.504 0.000) 1.977 6.721 ( -6.319 -1.344 0.000) 6.461 6.756 ( -0.804 -0.502 0.000) 0.948 6.863 ( 2.666 2.033 0.000) 3.353 6.950 ( -3.049 0.362 0.000) 3.071 7.068 ( -4.328 -2.558 0.000) 5.027 7.140 ( 2.869 -1.861 0.000) 3.420 7.226 ( 6.399 -0.036 0.000) 6.399 7.282 ( 1.361 2.758 0.000) 3.076 7.427 ( 3.781 0.662 0.000) 3.839 7.509 ( -3.128 -0.306 0.000) 3.143 7.774 ( -8.169 -0.544 0.000) 8.187 7.853 ( 4.905 -0.719 0.000) 4.958 8.145 ( -2.421 -5.500 0.000) 6.009 8.267 ( 7.977 0.268 0.000) 7.982 9.001 ( -0.905 -0.337 0.000) 0.966 9.147 ( 2.957 1.465 0.000) 3.300 9.179 ( 0.486 -3.318 0.000) 3.353 9.448 ( 4.048 1.718 0.000) 4.398 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -13.001 0.999 0.000) 13.040 1.829 ( -0.823 -0.488 0.000) 0.957 1.875 ( -17.318 -3.870 0.000) 17.745 1.917 ( -5.072 1.056 0.000) 5.181 2.150 ( -4.044 -1.793 0.000) 4.424 2.276 ( -2.447 -8.481 0.000) 8.827 2.299 ( -2.815 2.678 0.000) 3.886 2.354 ( -5.366 -3.821 0.000) 6.587 2.398 ( -6.516 -0.572 0.000) 6.541 2.572 ( -2.405 -8.875 0.000) 9.195 2.703 ( -3.760 3.149 0.000) 4.905 2.856 ( 1.043 -9.652 0.000) 9.708 2.869 ( -3.881 1.510 0.000) 4.165 2.954 ( -4.539 1.275 0.000) 4.715 3.012 ( -1.468 2.595 0.000) 2.982 3.048 ( 2.266 -1.362 0.000) 2.644 3.102 ( 5.588 3.929 0.000) 6.831 3.178 ( -1.359 -0.342 0.000) 1.401 3.259 ( -3.775 0.757 0.000) 3.850 3.297 ( 0.988 2.392 0.000) 2.588 3.566 ( 1.794 1.867 0.000) 2.589 3.633 ( -2.897 -0.927 0.000) 3.042 3.697 ( -3.965 2.176 0.000) 4.523 3.788 ( -13.696 4.310 0.000) 14.358 3.792 ( -0.307 4.737 0.000) 4.747 3.898 ( -12.055 2.466 0.000) 12.304 6.226 ( 4.376 -1.794 0.000) 4.730 6.260 ( -0.651 -1.368 0.000) 1.515 6.275 ( -3.678 -0.822 0.000) 3.769 6.486 ( 0.630 -2.470 0.000) 2.549 6.644 ( -2.337 -1.755 0.000) 2.923 6.724 ( -2.506 -0.132 0.000) 2.509 6.876 ( -4.985 -1.069 0.000) 5.098 6.908 ( 2.632 0.869 0.000) 2.772 7.042 ( -0.449 -2.813 0.000) 2.848 7.198 ( 1.539 -2.830 0.000) 3.222 7.315 ( 1.157 2.491 0.000) 2.747 7.333 ( 5.754 2.409 0.000) 6.238 7.392 ( -8.185 -1.477 0.000) 8.317 7.479 ( 2.048 0.807 0.000) 2.201 7.633 ( -6.802 -0.649 0.000) 6.833 7.859 ( -5.025 2.667 0.000) 5.689 8.195 ( 3.429 -11.452 0.000) 11.954 8.405 ( 6.478 0.235 0.000) 6.482 8.983 ( -1.115 -0.459 0.000) 1.206 9.205 ( 4.258 2.387 0.000) 4.882 9.222 ( 1.485 -4.911 0.000) 5.131 9.518 ( 4.350 2.723 0.000) 5.132 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -16.541 3.364 0.000) 16.879 1.524 ( -20.802 -1.160 0.000) 20.834 1.767 ( -9.001 1.985 0.000) 9.217 1.815 ( -2.004 -0.003 0.000) 2.004 2.091 ( -2.457 -2.256 0.000) 3.335 2.221 ( -8.867 -5.112 0.000) 10.235 2.248 ( -6.637 3.859 0.000) 7.678 2.253 ( -1.820 1.084 0.000) 2.119 2.297 ( -4.963 -7.587 0.000) 9.066 2.559 ( -9.805 0.605 0.000) 9.824 2.570 ( -6.154 -0.213 0.000) 6.157 2.650 ( -9.293 2.418 0.000) 9.603 2.823 ( -9.206 -4.905 0.000) 10.431 2.912 ( -8.601 0.475 0.000) 8.614 2.925 ( -3.417 -0.476 0.000) 3.450 3.043 ( -7.356 -2.596 0.000) 7.800 3.075 ( -8.860 0.743 0.000) 8.891 3.149 ( -3.446 1.412 0.000) 3.724 3.194 ( 1.068 3.530 0.000) 3.688 3.282 ( -0.305 4.405 0.000) 4.415 3.495 ( -4.268 0.563 0.000) 4.305 3.567 ( 0.677 0.460 0.000) 0.819 3.609 ( 2.485 -0.341 0.000) 2.508 3.674 ( 0.330 -0.638 0.000) 0.718 3.786 ( 1.994 2.196 0.000) 2.966 3.832 ( 0.763 -0.326 0.000) 0.830 6.223 ( -1.788 0.400 0.000) 1.832 6.243 ( -0.662 2.255 0.000) 2.350 6.341 ( 6.100 -2.320 0.000) 6.527 6.535 ( 1.715 -4.782 0.000) 5.080 6.631 ( -1.620 -0.510 0.000) 1.699 6.669 ( -3.248 0.345 0.000) 3.267 6.782 ( -5.098 -0.718 0.000) 5.148 6.929 ( -0.876 1.244 0.000) 1.521 7.048 ( -2.003 -6.393 0.000) 6.700 7.081 ( -17.319 -1.857 0.000) 17.418 7.239 ( 0.935 -4.081 0.000) 4.187 7.372 ( -0.232 2.928 0.000) 2.937 7.421 ( 2.084 2.020 0.000) 2.902 7.517 ( 3.267 2.505 0.000) 4.117 7.542 ( -1.732 -0.493 0.000) 1.801 7.695 ( -8.684 -1.628 0.000) 8.835 8.344 ( 5.231 -8.093 0.000) 9.636 8.509 ( 4.496 0.047 0.000) 4.496 8.968 ( -0.615 -0.435 0.000) 0.753 9.282 ( 1.730 -5.067 0.000) 5.354 9.287 ( 5.850 2.699 0.000) 6.443 9.583 ( 4.329 3.426 0.000) 5.520 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -18.359 6.850 0.000) 19.595 1.100 ( -22.633 3.842 0.000) 22.957 1.543 ( -11.237 5.528 0.000) 12.524 1.764 ( -4.437 0.645 0.000) 4.483 1.966 ( -29.027 13.400 0.000) 31.971 2.044 ( -12.149 5.020 0.000) 13.146 2.090 ( 0.535 -3.454 0.000) 3.495 2.092 ( -8.327 -2.761 0.000) 8.772 2.176 ( -6.872 -0.160 0.000) 6.874 2.347 ( -2.343 -4.367 0.000) 4.956 2.475 ( -9.933 0.653 0.000) 9.954 2.562 ( -3.485 -7.221 0.000) 8.018 2.600 ( -14.623 -3.560 0.000) 15.050 2.672 ( -11.091 -0.647 0.000) 11.110 2.809 ( -7.358 -1.426 0.000) 7.495 2.813 ( -11.292 2.069 0.000) 11.480 2.988 ( -3.511 1.480 0.000) 3.811 3.060 ( -1.189 1.927 0.000) 2.265 3.221 ( 1.692 0.191 0.000) 1.703 3.315 ( 3.798 1.995 0.000) 4.290 3.479 ( 0.418 -0.417 0.000) 0.590 3.640 ( -0.312 -2.616 0.000) 2.634 3.642 ( 4.518 3.393 0.000) 5.650 3.745 ( 5.515 -2.034 0.000) 5.878 3.836 ( 2.333 -0.567 0.000) 2.401 3.893 ( 5.699 -3.256 0.000) 6.564 6.192 ( -9.101 -0.148 0.000) 9.103 6.200 ( -1.281 -1.354 0.000) 1.864 6.380 ( -16.521 4.683 0.000) 17.172 6.433 ( -1.663 -4.534 0.000) 4.829 6.599 ( -2.544 0.395 0.000) 2.574 6.617 ( 1.321 -3.177 0.000) 3.440 6.711 ( -1.144 0.357 0.000) 1.199 6.842 ( -4.644 0.280 0.000) 4.652 6.935 ( -0.058 -1.951 0.000) 1.952 7.042 ( -3.839 -12.384 0.000) 12.965 7.258 ( -2.507 -5.980 0.000) 6.484 7.306 ( -3.717 2.385 0.000) 4.416 7.381 ( -6.598 1.031 0.000) 6.678 7.468 ( -0.804 3.049 0.000) 3.154 7.580 ( 4.239 0.779 0.000) 4.310 7.710 ( 5.727 -0.788 0.000) 5.781 8.459 ( 3.898 -1.567 0.000) 4.201 8.575 ( 2.471 -0.159 0.000) 2.476 8.967 ( 0.283 -0.389 0.000) 0.481 9.343 ( 1.999 -4.119 0.000) 4.578 9.399 ( 7.241 2.490 0.000) 7.657 9.644 ( 3.895 3.595 0.000) 5.300 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -17.488 12.467 0.000) 21.477 0.638 ( -19.751 13.568 0.000) 23.963 1.194 ( -36.846 25.420 0.000) 44.764 1.313 ( -7.854 8.654 0.000) 11.687 1.580 ( -12.995 4.278 0.000) 13.681 1.802 ( -9.939 2.489 0.000) 10.246 2.014 ( -2.681 -5.079 0.000) 5.743 2.041 ( -4.930 -2.261 0.000) 5.423 2.147 ( 3.051 -4.012 0.000) 5.040 2.245 ( -11.261 -2.499 0.000) 11.535 2.365 ( 0.002 -2.150 0.000) 2.150 2.384 ( -10.054 -4.212 0.000) 10.901 2.534 ( -2.087 -3.881 0.000) 4.407 2.556 ( -2.641 -0.468 0.000) 2.682 2.666 ( -3.027 2.627 0.000) 4.008 2.678 ( -7.440 -2.636 0.000) 7.893 2.899 ( -1.203 8.453 0.000) 8.538 3.086 ( 1.201 -5.616 0.000) 5.743 3.254 ( 1.981 -0.182 0.000) 1.989 3.363 ( 2.060 1.865 0.000) 2.778 3.494 ( 0.834 -0.299 0.000) 0.886 3.642 ( -0.432 -1.055 0.000) 1.140 3.676 ( 2.011 5.909 0.000) 6.242 3.863 ( 4.104 -4.882 0.000) 6.378 3.882 ( 4.066 3.320 0.000) 5.249 4.038 ( 4.914 -7.101 0.000) 8.635 5.722 ( -26.936 0.670 0.000) 26.944 6.088 ( -23.602 -20.248 0.000) 31.097 6.309 ( 4.147 6.255 0.000) 7.505 6.349 ( -4.076 -6.707 0.000) 7.848 6.558 ( -2.123 2.126 0.000) 3.004 6.608 ( -5.070 -4.142 0.000) 6.547 6.764 ( -1.106 3.761 0.000) 3.920 6.776 ( 6.639 0.354 0.000) 6.649 6.999 ( 3.049 -3.863 0.000) 4.921 7.043 ( -2.317 -11.050 0.000) 11.290 7.193 ( -7.909 -1.879 0.000) 8.129 7.237 ( -2.152 1.654 0.000) 2.714 7.252 ( -3.947 -2.483 0.000) 4.663 7.487 ( 1.863 1.261 0.000) 2.249 7.650 ( 3.125 1.589 0.000) 3.506 7.805 ( 3.550 0.445 0.000) 3.578 8.529 ( 5.605 5.264 0.000) 7.689 8.609 ( 1.029 -0.248 0.000) 1.058 8.979 ( 0.570 -0.288 0.000) 0.639 9.400 ( 1.694 -3.182 0.000) 3.605 9.524 ( 7.211 2.882 0.000) 7.765 9.686 ( 2.349 3.333 0.000) 4.077 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -0.000 22.376 0.000) 22.376 0.335 ( -0.000 30.049 0.000) 30.049 0.458 ( -0.000 41.322 0.000) 41.322 1.183 ( -0.000 8.527 0.000) 8.527 1.388 ( -0.000 4.249 0.000) 4.249 1.688 ( -0.000 1.136 0.000) 1.136 2.015 ( 0.000 -2.079 0.000) 2.079 2.031 ( 0.000 -5.140 0.000) 5.140 2.108 ( -0.000 0.244 0.000) 0.244 2.251 ( 0.000 -1.795 0.000) 1.795 2.254 ( 0.000 -4.680 0.000) 4.680 2.377 ( 0.000 -1.686 0.000) 1.686 2.532 ( 0.000 -0.245 0.000) 0.245 2.564 ( 0.000 -1.767 0.000) 1.767 2.577 ( 0.000 -1.470 0.000) 1.470 2.633 ( -0.000 1.643 0.000) 1.643 2.873 ( -0.000 4.516 0.000) 4.516 3.134 ( 0.000 -4.475 0.000) 4.475 3.309 ( 0.000 -2.424 0.000) 2.424 3.372 ( -0.000 1.538 0.000) 1.538 3.505 ( 0.000 -0.162 0.000) 0.162 3.640 ( 0.000 -0.196 0.000) 0.196 3.661 ( -0.000 5.960 0.000) 5.960 3.933 ( 0.000 -4.665 0.000) 4.665 4.023 ( 0.000 -0.740 0.000) 0.740 4.125 ( 0.000 -5.678 0.000) 5.678 5.348 ( -0.000 1.899 0.000) 1.899 5.423 ( -0.000 1.712 0.000) 1.712 6.336 ( -0.000 6.125 0.000) 6.125 6.369 ( 0.000 -6.311 0.000) 6.311 6.517 ( -0.000 3.250 0.000) 3.250 6.557 ( 0.000 -6.046 0.000) 6.046 6.739 ( -0.000 4.448 0.000) 4.448 6.870 ( 0.000 -0.290 0.000) 0.290 7.053 ( 0.000 -3.468 0.000) 3.468 7.057 ( 0.000 -0.708 0.000) 0.708 7.125 ( 0.000 -4.217 0.000) 4.217 7.175 ( -0.000 1.639 0.000) 1.639 7.208 ( -0.000 1.209 0.000) 1.209 7.500 ( 0.000 -0.334 0.000) 0.334 7.671 ( -0.000 1.583 0.000) 1.583 7.832 ( -0.000 1.046 0.000) 1.046 8.620 ( 0.000 -0.210 0.000) 0.210 8.642 ( 0.000 -0.554 0.000) 0.554 8.987 ( 0.000 -0.125 0.000) 0.125 9.433 ( 0.000 -2.401 0.000) 2.401 9.636 ( 0.000 -0.590 0.000) 0.590 9.692 ( -0.000 2.635 0.000) 2.635 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 14.870 0.000 0.000) 14.870 1.837 ( 0.795 0.000 0.000) 0.795 1.896 ( 5.067 0.000 0.000) 5.067 1.981 ( 18.159 0.000 0.000) 18.159 2.189 ( 6.846 0.000 0.000) 6.846 2.241 ( -0.494 -0.000 0.000) 0.494 2.336 ( 7.828 0.000 0.000) 7.828 2.481 ( 7.674 0.000 0.000) 7.674 2.555 ( 2.063 0.000 0.000) 2.063 2.562 ( 1.614 0.000 0.000) 1.614 2.746 ( 0.593 0.000 0.000) 0.593 2.773 ( 15.401 0.000 0.000) 15.401 2.924 ( -3.114 -0.000 0.000) 3.114 2.944 ( 2.644 0.000 0.000) 2.644 3.073 ( -5.562 -0.000 0.000) 5.562 3.085 ( -2.737 -0.000 0.000) 2.737 3.104 ( 7.914 0.000 0.000) 7.914 3.202 ( -5.104 -0.000 0.000) 5.104 3.205 ( 0.272 0.000 0.000) 0.272 3.310 ( 6.778 0.000 0.000) 6.778 3.465 ( -5.201 -0.000 0.000) 5.201 3.517 ( -2.865 -0.000 0.000) 2.865 3.665 ( 14.953 0.000 0.000) 14.953 3.697 ( 0.492 0.000 0.000) 0.492 3.764 ( 10.583 0.000 0.000) 10.583 3.875 ( 3.036 0.000 0.000) 3.036 6.265 ( 5.017 0.000 0.000) 5.017 6.283 ( -4.588 -0.000 0.000) 4.588 6.289 ( 6.087 0.000 0.000) 6.087 6.526 ( -3.785 -0.000 0.000) 3.785 6.691 ( 2.242 0.000 0.000) 2.242 6.727 ( 3.047 0.000 0.000) 3.047 6.890 ( -3.537 -0.000 0.000) 3.537 6.899 ( 4.653 0.000 0.000) 4.653 7.142 ( -1.922 -0.000 0.000) 1.922 7.208 ( -1.060 -0.000 0.000) 1.060 7.255 ( -2.234 -0.000 0.000) 2.234 7.301 ( -7.991 -0.000 0.000) 7.991 7.423 ( 10.068 0.000 0.000) 10.068 7.455 ( -0.985 -0.000 0.000) 0.985 7.645 ( 6.773 0.000 0.000) 6.773 7.802 ( 2.873 0.000 0.000) 2.873 8.400 ( -6.580 -0.000 0.000) 6.580 8.442 ( -3.957 -0.000 0.000) 3.957 9.006 ( 1.660 0.000 0.000) 1.660 9.125 ( -4.102 -0.000 0.000) 4.102 9.386 ( -0.654 -0.000 0.000) 0.654 9.399 ( -5.274 -0.000 0.000) 5.274 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 4.493 -0.002 0.000) 4.493 1.851 ( 0.782 -0.093 0.000) 0.788 2.005 ( 7.920 0.081 0.000) 7.921 2.226 ( -0.861 0.496 0.000) 0.994 2.256 ( 10.756 1.378 0.000) 10.843 2.331 ( 6.771 -0.871 0.000) 6.827 2.464 ( 5.052 0.557 0.000) 5.082 2.533 ( 0.301 6.157 0.000) 6.164 2.588 ( 2.212 -0.692 0.000) 2.318 2.608 ( -0.156 -3.030 0.000) 3.034 2.759 ( 2.162 0.509 0.000) 2.221 2.885 ( -0.684 -1.070 0.000) 1.270 2.936 ( -3.458 3.697 0.000) 5.062 2.948 ( -6.019 0.856 0.000) 6.079 2.968 ( -1.071 -2.390 0.000) 2.619 3.025 ( -10.096 2.697 0.000) 10.450 3.045 ( 2.012 3.483 0.000) 4.022 3.116 ( -1.292 -5.074 0.000) 5.236 3.237 ( 4.202 -1.688 0.000) 4.528 3.380 ( 1.852 2.035 0.000) 2.751 3.466 ( 0.477 -4.906 0.000) 4.929 3.493 ( -0.322 -0.590 0.000) 0.672 3.701 ( 0.108 0.568 0.000) 0.578 3.930 ( 4.010 4.080 0.000) 5.721 3.957 ( 13.837 -1.224 0.000) 13.891 4.045 ( 14.504 -3.861 0.000) 15.009 6.209 ( -2.988 0.678 0.000) 3.064 6.365 ( 4.683 -0.033 0.000) 4.683 6.395 ( 3.658 3.381 0.000) 4.982 6.465 ( -2.077 -2.224 0.000) 3.043 6.748 ( 3.752 0.144 0.000) 3.755 6.773 ( 1.325 0.203 0.000) 1.340 6.820 ( -2.400 -0.260 0.000) 2.414 6.957 ( 1.964 0.224 0.000) 1.977 7.152 ( 2.785 1.506 0.000) 3.166 7.169 ( -4.853 0.053 0.000) 4.853 7.203 ( 0.212 -1.318 0.000) 1.335 7.208 ( -3.388 -0.343 0.000) 3.406 7.404 ( -4.055 -0.269 0.000) 4.064 7.529 ( 1.851 0.279 0.000) 1.872 7.787 ( 7.971 0.132 0.000) 7.972 7.824 ( -0.774 -0.547 0.000) 0.948 8.261 ( -7.952 -0.063 0.000) 7.952 8.336 ( -5.832 2.235 0.000) 6.245 9.032 ( 1.240 1.338 0.000) 1.824 9.073 ( -1.925 -1.942 0.000) 2.734 9.296 ( -4.285 2.262 0.000) 4.846 9.372 ( -1.516 -1.859 0.000) 2.399 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 0.075 0.170 0.000) 0.186 1.872 ( 1.125 -0.370 0.000) 1.184 2.146 ( 4.915 1.657 0.000) 5.186 2.199 ( -1.484 -0.831 0.000) 1.701 2.358 ( 0.397 4.093 0.000) 4.112 2.445 ( 4.306 -1.411 0.000) 4.531 2.462 ( -3.321 3.309 0.000) 4.688 2.490 ( -2.639 1.695 0.000) 3.136 2.590 ( -3.076 -1.605 0.000) 3.470 2.612 ( -0.595 -3.206 0.000) 3.261 2.807 ( -0.267 1.932 0.000) 1.950 2.812 ( -8.359 2.847 0.000) 8.831 2.843 ( 4.560 -0.288 0.000) 4.569 2.867 ( -3.323 -0.387 0.000) 3.346 2.899 ( -1.620 -0.521 0.000) 1.702 2.926 ( -0.333 -1.017 0.000) 1.070 3.086 ( 1.825 0.157 0.000) 1.831 3.198 ( 4.018 -1.959 0.000) 4.470 3.294 ( 1.351 -0.742 0.000) 1.542 3.380 ( -0.978 -0.465 0.000) 1.083 3.500 ( 0.813 -4.083 0.000) 4.163 3.500 ( 0.663 -0.454 0.000) 0.804 3.695 ( -0.475 0.362 0.000) 0.597 3.961 ( 2.186 6.106 0.000) 6.485 4.171 ( 7.334 -0.720 0.000) 7.369 4.298 ( 8.693 -3.316 0.000) 9.304 6.160 ( -1.780 0.377 0.000) 1.819 6.351 ( -3.072 3.889 0.000) 4.956 6.419 ( 0.667 -0.030 0.000) 0.668 6.482 ( -0.749 -3.970 0.000) 4.040 6.770 ( -0.877 0.407 0.000) 0.967 6.811 ( 2.479 1.111 0.000) 2.717 6.838 ( 3.455 -0.534 0.000) 3.496 6.995 ( 2.209 0.134 0.000) 2.213 7.100 ( -2.807 -0.003 0.000) 2.807 7.127 ( -4.294 0.581 0.000) 4.334 7.197 ( 0.914 0.330 0.000) 0.972 7.251 ( 4.142 -0.173 0.000) 4.145 7.324 ( -3.480 -0.607 0.000) 3.533 7.530 ( -0.695 -0.176 0.000) 0.717 7.786 ( -2.714 0.187 0.000) 2.720 7.945 ( 8.619 0.188 0.000) 8.621 8.100 ( -8.811 -0.124 0.000) 8.812 8.225 ( -4.243 1.375 0.000) 4.460 9.029 ( -0.499 0.906 0.000) 1.034 9.076 ( 0.822 -1.380 0.000) 1.606 9.214 ( -3.293 0.982 0.000) 3.436 9.364 ( 0.210 -0.733 0.000) 0.762 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.691 -0.093 0.000) 0.698 1.891 ( 0.243 0.159 0.000) 0.290 2.109 ( -4.711 0.444 0.000) 4.732 2.221 ( 0.572 0.227 0.000) 0.616 2.238 ( -7.817 2.163 0.000) 8.111 2.360 ( -7.932 -2.844 0.000) 8.426 2.437 ( -2.346 0.945 0.000) 2.529 2.489 ( -1.168 -0.837 0.000) 1.437 2.526 ( -3.980 -4.064 0.000) 5.688 2.592 ( -3.541 -2.076 0.000) 4.104 2.676 ( -4.170 -0.951 0.000) 4.277 2.833 ( 2.169 1.488 0.000) 2.630 2.856 ( -1.185 0.186 0.000) 1.200 2.869 ( 3.159 -0.071 0.000) 3.160 2.943 ( 3.128 0.906 0.000) 3.256 2.969 ( 5.304 0.840 0.000) 5.370 3.113 ( 1.172 0.815 0.000) 1.427 3.242 ( 0.141 0.840 0.000) 0.852 3.309 ( 0.206 -0.254 0.000) 0.327 3.362 ( -1.589 -2.069 0.000) 2.609 3.522 ( 1.420 0.063 0.000) 1.421 3.552 ( 2.246 -4.641 0.000) 5.156 3.679 ( -1.020 -0.013 0.000) 1.020 3.948 ( 0.518 7.320 0.000) 7.338 4.227 ( -1.542 0.956 0.000) 1.814 4.382 ( -1.408 -0.580 0.000) 1.522 6.139 ( -0.375 -0.261 0.000) 0.456 6.276 ( -3.113 0.816 0.000) 3.218 6.394 ( -3.209 -0.913 0.000) 3.336 6.473 ( -1.705 -3.275 0.000) 3.693 6.757 ( -0.238 0.085 0.000) 0.253 6.826 ( -3.656 -0.017 0.000) 3.656 6.861 ( 0.918 1.506 0.000) 1.764 7.016 ( -1.057 1.437 0.000) 1.784 7.072 ( 0.688 -1.325 0.000) 1.493 7.109 ( 3.913 0.286 0.000) 3.924 7.139 ( -5.835 -1.409 0.000) 6.003 7.300 ( 0.818 1.007 0.000) 1.297 7.353 ( 4.918 0.277 0.000) 4.926 7.525 ( -0.000 -0.408 0.000) 0.408 7.757 ( 0.592 -0.735 0.000) 0.943 7.931 ( -8.906 -0.242 0.000) 8.909 8.111 ( 8.710 0.191 0.000) 8.712 8.161 ( -2.593 -0.346 0.000) 2.616 9.014 ( -0.714 0.182 0.000) 0.737 9.108 ( 2.133 -0.182 0.000) 2.141 9.162 ( -2.011 -0.634 0.000) 2.108 9.395 ( 2.902 0.247 0.000) 2.913 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -2.509 0.155 0.000) 2.514 1.848 ( -4.411 -0.528 0.000) 4.442 2.016 ( -4.118 0.789 0.000) 4.193 2.078 ( -10.629 -3.770 0.000) 11.277 2.198 ( -2.719 -0.222 0.000) 2.728 2.222 ( -7.015 -5.228 0.000) 8.749 2.380 ( -3.712 -1.777 0.000) 4.116 2.418 ( -4.585 1.919 0.000) 4.970 2.490 ( -3.107 -5.876 0.000) 6.647 2.506 ( -5.553 -0.838 0.000) 5.616 2.675 ( 1.112 -6.399 0.000) 6.495 2.810 ( -2.411 1.781 0.000) 2.998 2.871 ( 1.613 1.807 0.000) 2.422 2.959 ( 5.006 -0.498 0.000) 5.030 2.996 ( 2.868 -0.150 0.000) 2.872 3.062 ( 4.362 2.937 0.000) 5.258 3.104 ( -1.459 2.046 0.000) 2.513 3.217 ( -1.416 1.369 0.000) 1.970 3.311 ( 0.256 0.562 0.000) 0.617 3.328 ( -2.811 -0.263 0.000) 2.823 3.552 ( 1.976 0.689 0.000) 2.093 3.632 ( 2.930 -4.968 0.000) 5.768 3.656 ( -1.588 -0.345 0.000) 1.625 3.906 ( -0.693 6.926 0.000) 6.961 4.105 ( -9.914 2.996 0.000) 10.357 4.246 ( -11.893 2.982 0.000) 12.262 6.153 ( 1.743 -0.300 0.000) 1.769 6.234 ( -1.335 -1.663 0.000) 2.132 6.325 ( -4.509 -2.086 0.000) 4.968 6.464 ( -0.791 -1.846 0.000) 2.008 6.707 ( -6.735 -1.164 0.000) 6.835 6.752 ( -0.785 -0.279 0.000) 0.833 6.885 ( 1.962 1.745 0.000) 2.625 6.958 ( -3.829 0.930 0.000) 3.940 7.043 ( -3.952 -2.068 0.000) 4.460 7.118 ( 2.117 -2.004 0.000) 2.915 7.222 ( 6.490 -0.632 0.000) 6.520 7.311 ( 1.749 2.452 0.000) 3.012 7.432 ( 3.551 0.333 0.000) 3.567 7.508 ( -2.886 0.108 0.000) 2.888 7.768 ( -8.258 -0.450 0.000) 8.271 7.832 ( 5.571 -2.887 0.000) 6.275 8.102 ( -4.886 -2.305 0.000) 5.403 8.270 ( 7.979 0.225 0.000) 7.982 8.998 ( -0.968 -0.113 0.000) 0.975 9.147 ( -0.395 -2.444 0.000) 2.476 9.159 ( 3.358 0.777 0.000) 3.447 9.464 ( 4.455 1.144 0.000) 4.599 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -11.943 1.106 0.000) 11.994 1.823 ( -0.619 -0.599 0.000) 0.862 1.843 ( -15.202 -1.733 0.000) 15.300 1.929 ( -5.028 1.050 0.000) 5.137 2.130 ( -4.718 -1.739 0.000) 5.028 2.179 ( -2.613 -8.967 0.000) 9.340 2.307 ( -6.257 -4.125 0.000) 7.495 2.329 ( -3.118 2.582 0.000) 4.049 2.397 ( -5.221 -0.940 0.000) 5.304 2.477 ( -3.074 -7.376 0.000) 7.991 2.734 ( -4.012 2.731 0.000) 4.853 2.754 ( 1.653 -8.605 0.000) 8.763 2.883 ( -0.523 0.721 0.000) 0.891 2.971 ( -7.294 1.829 0.000) 7.520 3.033 ( 1.607 -1.367 0.000) 2.110 3.037 ( -1.214 1.924 0.000) 2.275 3.139 ( 3.165 2.465 0.000) 4.012 3.178 ( -1.698 0.420 0.000) 1.749 3.278 ( -0.986 2.742 0.000) 2.914 3.320 ( 1.499 1.744 0.000) 2.299 3.584 ( 1.421 1.421 0.000) 2.009 3.624 ( -1.713 -0.687 0.000) 1.846 3.691 ( -0.642 -2.184 0.000) 2.277 3.836 ( -14.897 4.275 0.000) 15.498 3.852 ( -1.266 4.958 0.000) 5.117 3.936 ( -15.457 4.424 0.000) 16.077 6.208 ( 3.085 -1.423 0.000) 3.397 6.246 ( 1.355 -1.143 0.000) 1.773 6.263 ( -2.274 -1.418 0.000) 2.680 6.456 ( -1.255 -2.863 0.000) 3.126 6.627 ( -1.849 -1.171 0.000) 2.189 6.722 ( -2.219 -0.145 0.000) 2.223 6.865 ( -5.463 -0.932 0.000) 5.541 6.918 ( 2.202 0.824 0.000) 2.351 7.020 ( -0.479 -1.137 0.000) 1.234 7.162 ( 0.640 -3.589 0.000) 3.646 7.335 ( 3.982 0.809 0.000) 4.063 7.361 ( 5.337 2.616 0.000) 5.944 7.380 ( -10.225 -0.214 0.000) 10.227 7.485 ( 2.192 0.284 0.000) 2.210 7.625 ( -6.832 -0.619 0.000) 6.860 7.887 ( -5.762 2.327 0.000) 6.215 8.073 ( 3.292 -10.416 0.000) 10.923 8.407 ( 6.413 0.213 0.000) 6.417 8.979 ( -1.084 -0.246 0.000) 1.111 9.173 ( 1.157 -3.984 0.000) 4.149 9.227 ( 4.350 1.512 0.000) 4.605 9.543 ( 4.626 1.984 0.000) 5.034 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -14.530 3.796 0.000) 15.017 1.532 ( -16.895 2.827 0.000) 17.130 1.790 ( -6.034 1.999 0.000) 6.356 1.816 ( -3.238 0.229 0.000) 3.246 2.059 ( -3.485 -3.415 0.000) 4.879 2.159 ( -7.451 -6.097 0.000) 9.627 2.207 ( -4.033 -7.262 0.000) 8.307 2.266 ( -2.754 1.345 0.000) 3.064 2.299 ( -5.759 3.966 0.000) 6.992 2.456 ( -3.858 -11.152 0.000) 11.801 2.626 ( -6.480 3.276 0.000) 7.261 2.706 ( -13.005 6.746 0.000) 14.651 2.763 ( -6.723 -5.842 0.000) 8.906 2.894 ( -4.994 -2.566 0.000) 5.615 2.935 ( -7.028 1.113 0.000) 7.116 3.017 ( -5.719 -2.260 0.000) 6.149 3.089 ( -10.546 1.962 0.000) 10.727 3.162 ( 0.426 1.060 0.000) 1.143 3.241 ( -1.805 4.705 0.000) 5.040 3.330 ( 0.133 4.099 0.000) 4.101 3.505 ( -6.230 1.443 0.000) 6.395 3.580 ( -1.099 1.918 0.000) 2.210 3.608 ( -1.018 0.002 0.000) 1.018 3.667 ( 1.057 -0.678 0.000) 1.256 3.804 ( -0.974 0.810 0.000) 1.267 3.830 ( 1.235 0.046 0.000) 1.236 6.213 ( -1.816 -2.194 0.000) 2.848 6.266 ( 0.329 1.901 0.000) 1.930 6.323 ( 5.506 -0.946 0.000) 5.586 6.476 ( 1.036 -5.636 0.000) 5.730 6.625 ( -0.478 -0.506 0.000) 0.697 6.675 ( -2.837 0.614 0.000) 2.903 6.773 ( -4.578 -1.010 0.000) 4.688 6.943 ( 0.073 1.226 0.000) 1.228 6.987 ( -5.112 -4.559 0.000) 6.849 7.072 ( -18.374 0.214 0.000) 18.375 7.188 ( -0.301 -4.942 0.000) 4.951 7.399 ( 0.447 1.969 0.000) 2.019 7.444 ( 2.351 2.208 0.000) 3.226 7.535 ( -1.582 -0.868 0.000) 1.804 7.541 ( 5.059 1.783 0.000) 5.364 7.681 ( -11.346 -0.846 0.000) 11.378 8.254 ( 7.876 -8.189 0.000) 11.362 8.509 ( 4.349 0.031 0.000) 4.349 8.964 ( -0.575 -0.291 0.000) 0.644 9.229 ( 2.125 -4.430 0.000) 4.913 9.312 ( 5.644 1.829 0.000) 5.933 9.617 ( 4.474 2.728 0.000) 5.241 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -15.212 8.133 0.000) 17.250 1.178 ( -16.004 10.294 0.000) 19.029 1.610 ( -8.607 6.334 0.000) 10.686 1.768 ( -3.385 -0.020 0.000) 3.385 2.015 ( -9.940 -3.943 0.000) 10.693 2.045 ( -0.506 -4.572 0.000) 4.600 2.073 ( -13.810 3.993 0.000) 14.375 2.158 ( -12.064 6.989 0.000) 13.942 2.176 ( -7.269 0.268 0.000) 7.274 2.333 ( -10.080 4.612 0.000) 11.085 2.465 ( -4.667 -8.963 0.000) 10.105 2.488 ( -9.088 0.622 0.000) 9.110 2.557 ( -15.577 -4.141 0.000) 16.118 2.667 ( -11.414 -0.090 0.000) 11.414 2.788 ( -9.521 -2.453 0.000) 9.832 2.836 ( -9.627 2.003 0.000) 9.833 2.958 ( -2.521 -4.372 0.000) 5.047 3.121 ( -1.917 6.754 0.000) 7.021 3.226 ( 1.418 0.813 0.000) 1.634 3.338 ( 3.175 2.192 0.000) 3.858 3.473 ( 0.399 -0.594 0.000) 0.715 3.605 ( -0.423 -3.453 0.000) 3.479 3.672 ( 6.903 1.239 0.000) 7.014 3.727 ( 3.863 -1.077 0.000) 4.010 3.808 ( 1.073 -3.606 0.000) 3.763 3.875 ( 3.241 -0.211 0.000) 3.248 6.179 ( -4.481 -2.358 0.000) 5.064 6.190 ( -13.357 -0.160 0.000) 13.358 6.376 ( -5.525 -5.539 0.000) 7.823 6.423 ( -9.794 2.181 0.000) 10.034 6.589 ( 0.977 -1.273 0.000) 1.605 6.607 ( -2.006 1.058 0.000) 2.268 6.713 ( -0.811 0.062 0.000) 0.813 6.828 ( -3.640 -2.324 0.000) 4.319 6.918 ( -4.474 -9.840 0.000) 10.809 6.935 ( -0.713 1.825 0.000) 1.960 7.194 ( -2.251 -5.480 0.000) 5.924 7.334 ( -3.946 2.650 0.000) 4.753 7.392 ( -7.757 1.167 0.000) 7.844 7.495 ( -0.916 1.841 0.000) 2.056 7.585 ( 4.697 0.068 0.000) 4.698 7.708 ( 7.222 0.338 0.000) 7.230 8.430 ( 6.854 -3.618 0.000) 7.750 8.573 ( 2.350 -0.213 0.000) 2.359 8.963 ( 0.305 -0.333 0.000) 0.452 9.297 ( 2.517 -3.952 0.000) 4.685 9.422 ( 6.905 1.761 0.000) 7.126 9.682 ( 3.979 3.351 0.000) 5.202 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -12.464 14.365 0.000) 19.019 0.840 ( -8.712 21.818 0.000) 23.493 1.423 ( -5.395 10.665 0.000) 11.952 1.490 ( -29.281 27.211 0.000) 39.973 1.634 ( -10.162 5.100 0.000) 11.370 1.834 ( -10.838 3.174 0.000) 11.294 1.959 ( -3.592 -4.166 0.000) 5.501 2.008 ( -6.566 -3.755 0.000) 7.564 2.096 ( 2.108 -4.757 0.000) 5.203 2.222 ( -9.755 -1.996 0.000) 9.957 2.331 ( -10.120 -5.235 0.000) 11.394 2.334 ( -0.860 -3.402 0.000) 3.509 2.478 ( -1.039 -6.213 0.000) 6.299 2.550 ( -2.767 -0.565 0.000) 2.824 2.636 ( -8.095 -4.601 0.000) 9.311 2.698 ( -3.351 2.981 0.000) 4.485 2.954 ( -0.877 -2.395 0.000) 2.550 3.059 ( -0.305 4.513 0.000) 4.523 3.258 ( 2.181 0.609 0.000) 2.264 3.384 ( 2.124 1.841 0.000) 2.811 3.489 ( 0.900 -0.460 0.000) 1.011 3.619 ( -0.150 -3.090 0.000) 3.094 3.741 ( 2.639 5.536 0.000) 6.133 3.810 ( 2.918 -4.081 0.000) 5.017 3.894 ( 4.729 -4.325 0.000) 6.408 3.957 ( 3.750 -4.541 0.000) 5.889 5.732 ( -24.989 1.188 0.000) 25.017 5.901 ( -31.361 -12.683 0.000) 33.828 6.280 ( -3.234 -6.057 0.000) 6.867 6.374 ( 3.487 4.466 0.000) 5.666 6.576 ( -1.688 1.204 0.000) 2.074 6.579 ( -4.353 -0.555 0.000) 4.388 6.779 ( 6.272 0.165 0.000) 6.274 6.796 ( -0.401 1.782 0.000) 1.826 6.946 ( 2.320 -7.133 0.000) 7.501 6.959 ( 2.303 -2.563 0.000) 3.446 7.156 ( -5.571 -4.337 0.000) 7.060 7.248 ( -4.689 1.162 0.000) 4.831 7.258 ( -2.262 2.282 0.000) 3.213 7.494 ( 0.067 0.053 0.000) 0.085 7.666 ( 3.443 1.129 0.000) 3.624 7.817 ( 4.265 1.466 0.000) 4.510 8.556 ( 5.677 0.235 0.000) 5.681 8.605 ( 0.963 -0.360 0.000) 1.028 8.975 ( 0.661 -0.281 0.000) 0.718 9.362 ( 1.901 -3.500 0.000) 3.983 9.546 ( 6.515 1.179 0.000) 6.621 9.726 ( 2.425 3.752 0.000) 4.467 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -0.000 20.417 0.000) 20.417 0.658 ( -0.000 28.452 0.000) 28.452 0.906 ( -0.000 39.790 0.000) 39.790 1.307 ( -0.000 12.995 0.000) 12.995 1.452 ( -0.000 7.247 0.000) 7.247 1.706 ( -0.000 2.133 0.000) 2.133 1.964 ( 0.000 -6.388 0.000) 6.388 1.979 ( 0.000 -4.528 0.000) 4.528 2.111 ( -0.000 0.164 0.000) 0.164 2.187 ( 0.000 -6.852 0.000) 6.852 2.223 ( 0.000 -3.341 0.000) 3.341 2.349 ( 0.000 -3.427 0.000) 3.427 2.526 ( 0.000 -1.121 0.000) 1.121 2.539 ( 0.000 -2.403 0.000) 2.403 2.540 ( 0.000 -5.288 0.000) 5.288 2.657 ( -0.000 2.437 0.000) 2.437 2.936 ( -0.000 4.978 0.000) 4.978 3.071 ( 0.000 -5.010 0.000) 5.010 3.292 ( 0.000 -0.580 0.000) 0.580 3.393 ( -0.000 2.022 0.000) 2.022 3.503 ( 0.000 -0.273 0.000) 0.273 3.631 ( 0.000 -1.689 0.000) 1.689 3.733 ( -0.000 6.414 0.000) 6.414 3.869 ( 0.000 -6.052 0.000) 6.052 4.010 ( 0.000 -2.454 0.000) 2.454 4.038 ( 0.000 -9.103 0.000) 9.103 5.378 ( -0.000 3.302 0.000) 3.302 5.449 ( -0.000 2.885 0.000) 2.885 6.293 ( 0.000 -7.190 0.000) 7.190 6.427 ( -0.000 9.678 0.000) 9.678 6.488 ( 0.000 -6.048 0.000) 6.048 6.547 ( -0.000 2.117 0.000) 2.117 6.784 ( -0.000 3.395 0.000) 3.395 6.866 ( 0.000 -0.433 0.000) 0.433 7.007 ( 0.000 -4.347 0.000) 4.347 7.049 ( 0.000 -0.647 0.000) 0.647 7.062 ( 0.000 -6.965 0.000) 6.965 7.196 ( -0.000 2.039 0.000) 2.039 7.226 ( -0.000 1.869 0.000) 1.869 7.493 ( 0.000 -0.976 0.000) 0.976 7.691 ( -0.000 1.828 0.000) 1.828 7.848 ( -0.000 1.771 0.000) 1.771 8.616 ( 0.000 -0.374 0.000) 0.374 8.632 ( 0.000 -1.197 0.000) 1.197 8.985 ( 0.000 -0.204 0.000) 0.204 9.400 ( 0.000 -3.313 0.000) 3.313 9.627 ( 0.000 -0.915 0.000) 0.915 9.729 ( -0.000 3.761 0.000) 3.761 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -0.030 -0.000 0.000) 0.030 1.870 ( 1.315 0.000 0.000) 1.315 2.157 ( 6.284 0.000 0.000) 6.284 2.192 ( -2.906 -0.000 0.000) 2.906 2.381 ( 1.659 0.000 0.000) 1.659 2.436 ( 4.257 0.000 0.000) 4.257 2.491 ( -1.917 -0.000 0.000) 1.917 2.499 ( -8.109 -0.000 0.000) 8.109 2.579 ( -4.009 -0.000 0.000) 4.009 2.584 ( 0.890 0.000 0.000) 0.890 2.822 ( -2.602 -0.000 0.000) 2.602 2.830 ( -9.949 -0.000 0.000) 9.949 2.841 ( 6.458 0.000 0.000) 6.458 2.864 ( -2.591 -0.000 0.000) 2.591 2.892 ( -3.258 -0.000 0.000) 3.258 2.922 ( 1.847 0.000 0.000) 1.847 3.088 ( 1.871 0.000 0.000) 1.871 3.185 ( 5.153 0.000 0.000) 5.153 3.289 ( 1.603 0.000 0.000) 1.603 3.377 ( -1.875 -0.000 0.000) 1.875 3.478 ( 1.632 0.000 0.000) 1.632 3.498 ( 0.841 0.000 0.000) 0.841 3.697 ( -0.628 -0.000 0.000) 0.628 3.998 ( 2.003 0.000 0.000) 2.003 4.167 ( 7.816 0.000 0.000) 7.816 4.277 ( 9.577 0.000 0.000) 9.577 6.163 ( -2.031 -0.000 0.000) 2.031 6.381 ( -4.564 -0.000 0.000) 4.564 6.419 ( 0.527 0.000 0.000) 0.527 6.451 ( -0.045 -0.000 0.000) 0.045 6.772 ( -0.949 -0.000 0.000) 0.949 6.820 ( 3.566 0.000 0.000) 3.566 6.833 ( 2.665 0.000 0.000) 2.665 6.996 ( 2.245 0.000 0.000) 2.245 7.100 ( -2.831 -0.000 0.000) 2.831 7.130 ( -4.087 -0.000 0.000) 4.087 7.199 ( 0.161 0.000 0.000) 0.161 7.250 ( 4.873 0.000 0.000) 4.873 7.321 ( -3.484 -0.000 0.000) 3.484 7.529 ( -0.858 -0.000 0.000) 0.858 7.787 ( -2.546 -0.000 0.000) 2.546 7.946 ( 8.603 0.000 0.000) 8.603 8.100 ( -8.822 -0.000 0.000) 8.822 8.233 ( -4.963 -0.000 0.000) 4.963 9.036 ( -1.192 -0.000 0.000) 1.192 9.066 ( 1.674 0.000 0.000) 1.674 9.220 ( -3.875 -0.000 0.000) 3.875 9.360 ( 0.631 0.000 0.000) 0.631 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.764 -0.032 0.000) 0.764 1.892 ( 0.309 0.040 0.000) 0.311 2.113 ( -4.976 0.272 0.000) 4.984 2.223 ( 0.737 0.073 0.000) 0.740 2.268 ( -11.830 2.711 0.000) 12.137 2.327 ( -7.935 -2.647 0.000) 8.365 2.454 ( -2.474 1.908 0.000) 3.124 2.480 ( -0.132 -0.507 0.000) 0.524 2.487 ( -4.687 -2.964 0.000) 5.546 2.573 ( -2.785 -1.071 0.000) 2.983 2.671 ( -6.209 -0.187 0.000) 6.211 2.844 ( -0.664 0.481 0.000) 0.820 2.859 ( 3.166 0.236 0.000) 3.175 2.869 ( 3.095 -0.029 0.000) 3.095 2.947 ( 1.093 0.046 0.000) 1.094 2.977 ( 6.962 0.470 0.000) 6.978 3.122 ( 1.490 0.517 0.000) 1.577 3.252 ( 1.551 0.741 0.000) 1.719 3.307 ( 0.452 -0.128 0.000) 0.470 3.339 ( -1.959 -1.640 0.000) 2.555 3.519 ( 2.253 -1.454 0.000) 2.682 3.522 ( 1.609 -0.006 0.000) 1.609 3.679 ( -1.124 0.018 0.000) 1.124 4.007 ( -0.104 2.903 0.000) 2.905 4.234 ( -0.904 0.340 0.000) 0.965 4.375 ( -0.011 -0.492 0.000) 0.492 6.137 ( -0.460 -0.083 0.000) 0.468 6.286 ( -4.572 0.629 0.000) 4.615 6.387 ( -3.636 -0.370 0.000) 3.655 6.445 ( -0.637 -1.533 0.000) 1.661 6.758 ( -0.414 0.057 0.000) 0.418 6.825 ( -4.883 -0.068 0.000) 4.883 6.873 ( 2.044 0.591 0.000) 2.128 7.033 ( 0.295 1.571 0.000) 1.599 7.056 ( -0.916 -1.510 0.000) 1.766 7.112 ( 3.368 0.182 0.000) 3.373 7.128 ( -6.034 -0.530 0.000) 6.057 7.307 ( 1.141 0.355 0.000) 1.195 7.355 ( 5.249 0.082 0.000) 5.250 7.522 ( 0.128 -0.185 0.000) 0.225 7.751 ( -0.432 -0.277 0.000) 0.513 7.929 ( -8.953 -0.086 0.000) 8.953 8.112 ( 8.701 0.070 0.000) 8.701 8.160 ( -3.019 -0.056 0.000) 3.019 9.016 ( -0.895 0.105 0.000) 0.902 9.106 ( 2.528 -0.133 0.000) 2.531 9.157 ( -2.618 -0.209 0.000) 2.627 9.397 ( 3.226 0.068 0.000) 3.227 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.415 0.177 0.000) 1.426 1.842 ( -5.679 -0.454 0.000) 5.697 2.024 ( -3.876 0.562 0.000) 3.917 2.045 ( -11.050 -2.046 0.000) 11.238 2.178 ( -8.485 -2.802 0.000) 8.936 2.196 ( -3.205 -0.090 0.000) 3.206 2.367 ( -5.042 -0.568 0.000) 5.074 2.436 ( -3.653 1.402 0.000) 3.912 2.437 ( -3.944 -3.646 0.000) 5.371 2.499 ( -4.505 -0.372 0.000) 4.520 2.618 ( -0.424 -3.860 0.000) 3.884 2.827 ( -1.017 1.397 0.000) 1.728 2.884 ( -0.442 0.340 0.000) 0.558 2.954 ( 4.724 -0.303 0.000) 4.734 2.996 ( 3.748 0.282 0.000) 3.759 3.083 ( 3.555 0.930 0.000) 3.675 3.123 ( -0.685 1.224 0.000) 1.403 3.237 ( -1.497 2.108 0.000) 2.585 3.316 ( 0.668 0.254 0.000) 0.715 3.324 ( -0.882 -0.662 0.000) 1.102 3.557 ( 2.122 0.227 0.000) 2.134 3.584 ( 3.188 -3.325 0.000) 4.606 3.654 ( -1.620 -0.042 0.000) 1.621 3.967 ( -2.033 3.863 0.000) 4.365 4.131 ( -9.215 1.616 0.000) 9.355 4.272 ( -10.408 1.574 0.000) 10.526 6.153 ( 2.161 0.213 0.000) 2.171 6.221 ( -1.710 -0.634 0.000) 1.824 6.303 ( -5.136 -1.594 0.000) 5.378 6.446 ( -0.371 -1.269 0.000) 1.322 6.696 ( -6.913 -0.661 0.000) 6.945 6.750 ( -0.824 -0.103 0.000) 0.830 6.900 ( 1.454 1.013 0.000) 1.772 6.969 ( -5.320 1.052 0.000) 5.423 7.024 ( -2.394 -1.336 0.000) 2.741 7.098 ( 1.371 -1.416 0.000) 1.970 7.215 ( 6.101 -0.608 0.000) 6.131 7.334 ( 2.229 1.573 0.000) 2.729 7.434 ( 3.216 0.043 0.000) 3.216 7.510 ( -2.406 0.201 0.000) 2.414 7.764 ( -8.325 -0.253 0.000) 8.329 7.799 ( 4.679 -2.571 0.000) 5.339 8.089 ( -5.407 -0.442 0.000) 5.425 8.272 ( 7.977 0.128 0.000) 7.978 8.998 ( -1.038 -0.015 0.000) 1.038 9.126 ( -0.979 -1.293 0.000) 1.622 9.165 ( 3.641 0.303 0.000) 3.654 9.474 ( 4.720 0.570 0.000) 4.754 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -11.033 0.918 0.000) 11.071 1.816 ( -0.370 -0.556 0.000) 0.668 1.840 ( -11.642 1.112 0.000) 11.695 1.940 ( -4.917 0.800 0.000) 4.981 2.082 ( -4.069 -8.310 0.000) 9.253 2.113 ( -5.645 -1.304 0.000) 5.793 2.270 ( -6.527 -2.535 0.000) 7.002 2.354 ( -6.484 -5.704 0.000) 8.636 2.354 ( -3.548 2.039 0.000) 4.092 2.438 ( -2.651 -0.545 0.000) 2.707 2.672 ( 2.117 -6.136 0.000) 6.491 2.767 ( -3.792 3.284 0.000) 5.016 2.877 ( -0.778 -1.802 0.000) 1.962 2.996 ( -6.508 2.735 0.000) 7.059 3.019 ( 1.095 -1.026 0.000) 1.501 3.051 ( -2.116 0.616 0.000) 2.204 3.155 ( 1.843 0.574 0.000) 1.930 3.185 ( -2.092 0.731 0.000) 2.216 3.315 ( 1.081 3.579 0.000) 3.739 3.336 ( 1.934 1.067 0.000) 2.209 3.596 ( 1.678 0.809 0.000) 1.862 3.619 ( -1.630 -0.338 0.000) 1.665 3.661 ( 2.192 -2.785 0.000) 3.544 3.878 ( -15.175 3.175 0.000) 15.503 3.894 ( -3.557 2.676 0.000) 4.452 3.986 ( -15.967 4.232 0.000) 16.519 6.196 ( 0.138 -0.645 0.000) 0.660 6.235 ( 2.533 -0.678 0.000) 2.623 6.245 ( 0.492 -1.628 0.000) 1.701 6.427 ( -2.642 -2.349 0.000) 3.535 6.618 ( -1.394 -0.624 0.000) 1.527 6.720 ( -2.074 -0.151 0.000) 2.079 6.856 ( -5.830 -0.606 0.000) 5.861 6.926 ( 1.816 0.609 0.000) 1.916 7.017 ( 0.091 0.662 0.000) 0.668 7.122 ( -0.556 -3.626 0.000) 3.668 7.332 ( 5.480 -0.906 0.000) 5.554 7.388 ( -10.879 1.118 0.000) 10.937 7.390 ( 5.189 2.427 0.000) 5.729 7.485 ( 2.095 -0.364 0.000) 2.127 7.619 ( -6.864 -0.443 0.000) 6.878 7.908 ( -4.471 1.229 0.000) 4.637 7.974 ( 1.520 -7.034 0.000) 7.196 8.409 ( 6.354 0.146 0.000) 6.356 8.977 ( -1.088 -0.114 0.000) 1.094 9.136 ( 0.918 -2.591 0.000) 2.749 9.239 ( 4.397 0.788 0.000) 4.467 9.561 ( 4.823 1.211 0.000) 4.973 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -12.593 3.406 0.000) 13.046 1.589 ( -11.794 7.550 0.000) 14.004 1.804 ( -1.633 0.305 0.000) 1.662 1.826 ( -6.082 1.770 0.000) 6.334 2.019 ( -4.624 -3.595 0.000) 5.857 2.080 ( -3.306 -8.357 0.000) 8.987 2.143 ( -7.361 -4.157 0.000) 8.454 2.280 ( -3.613 1.061 0.000) 3.765 2.299 ( -2.997 -8.378 0.000) 8.898 2.366 ( -5.928 -0.383 0.000) 5.940 2.657 ( -5.928 2.872 0.000) 6.587 2.701 ( -4.604 -5.217 0.000) 6.958 2.776 ( -12.470 5.676 0.000) 13.700 2.861 ( -4.071 -3.563 0.000) 5.410 2.938 ( -8.499 -0.628 0.000) 8.523 2.994 ( -4.874 -1.756 0.000) 5.180 3.118 ( -8.706 3.184 0.000) 9.270 3.173 ( 1.065 0.878 0.000) 1.380 3.292 ( -2.537 4.387 0.000) 5.068 3.368 ( 1.671 2.763 0.000) 3.229 3.527 ( -7.721 2.456 0.000) 8.102 3.607 ( -3.934 2.888 0.000) 4.881 3.608 ( -4.860 -0.046 0.000) 4.860 3.660 ( 1.796 -0.538 0.000) 1.875 3.803 ( -0.347 -0.778 0.000) 0.852 3.834 ( -1.375 0.419 0.000) 1.438 6.180 ( -1.487 -3.368 0.000) 3.681 6.284 ( 1.029 1.369 0.000) 1.712 6.318 ( 4.249 -0.113 0.000) 4.251 6.415 ( 0.291 -5.163 0.000) 5.172 6.620 ( 0.118 -0.426 0.000) 0.442 6.681 ( -2.085 0.525 0.000) 2.150 6.761 ( -4.409 -0.993 0.000) 4.519 6.950 ( -8.081 -2.054 0.000) 8.337 6.955 ( 0.993 0.930 0.000) 1.361 7.083 ( -18.740 1.524 0.000) 18.801 7.134 ( -0.407 -4.577 0.000) 4.595 7.416 ( 1.955 1.190 0.000) 2.288 7.468 ( 1.909 2.047 0.000) 2.799 7.523 ( -2.167 -1.161 0.000) 2.459 7.554 ( 6.983 0.646 0.000) 7.013 7.678 ( -13.014 0.307 0.000) 13.018 8.169 ( 9.735 -6.944 0.000) 11.957 8.510 ( 4.204 0.008 0.000) 4.204 8.961 ( -0.573 -0.174 0.000) 0.599 9.186 ( 2.455 -3.256 0.000) 4.078 9.327 ( 5.470 1.006 0.000) 5.562 9.643 ( 4.642 1.884 0.000) 5.009 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -12.276 7.779 0.000) 14.533 1.322 ( -9.106 15.483 0.000) 17.963 1.677 ( -6.529 5.498 0.000) 8.535 1.762 ( -3.124 -0.799 0.000) 3.225 1.971 ( -8.276 -3.424 0.000) 8.956 1.993 ( -0.820 -4.554 0.000) 4.628 2.078 ( -7.182 -3.711 0.000) 8.084 2.183 ( -7.111 0.811 0.000) 7.157 2.200 ( -8.103 3.595 0.000) 8.864 2.327 ( -2.316 -11.270 0.000) 11.506 2.455 ( -13.489 7.997 0.000) 15.682 2.510 ( -16.332 -4.200 0.000) 16.864 2.512 ( -12.244 4.598 0.000) 13.079 2.676 ( -12.824 2.039 0.000) 12.985 2.756 ( -11.703 -3.160 0.000) 12.122 2.854 ( -8.124 1.198 0.000) 8.212 2.916 ( -4.565 -2.591 0.000) 5.250 3.180 ( 0.227 3.047 0.000) 3.055 3.243 ( 0.233 2.782 0.000) 2.792 3.363 ( 1.613 2.276 0.000) 2.789 3.466 ( 0.399 -0.756 0.000) 0.855 3.571 ( -1.149 -2.636 0.000) 2.876 3.650 ( 4.720 -5.157 0.000) 6.991 3.719 ( 3.263 -0.513 0.000) 3.303 3.789 ( -0.325 0.471 0.000) 0.572 3.876 ( 3.886 0.081 0.000) 3.887 6.153 ( -5.787 -2.319 0.000) 6.235 6.190 ( -15.153 0.223 0.000) 15.155 6.315 ( -9.185 -5.509 0.000) 10.711 6.417 ( -4.503 -2.941 0.000) 5.378 6.594 ( 0.017 1.602 0.000) 1.602 6.621 ( -2.260 1.435 0.000) 2.677 6.712 ( -0.363 -0.364 0.000) 0.514 6.806 ( -4.641 -1.347 0.000) 4.832 6.828 ( -3.560 -6.397 0.000) 7.321 6.964 ( 0.077 2.980 0.000) 2.981 7.139 ( -1.794 -4.331 0.000) 4.688 7.365 ( -3.633 3.035 0.000) 4.734 7.409 ( -7.737 1.973 0.000) 7.985 7.508 ( -1.875 0.496 0.000) 1.939 7.579 ( 4.851 -1.203 0.000) 4.998 7.715 ( 8.204 0.825 0.000) 8.245 8.384 ( 8.952 -4.423 0.000) 9.985 8.571 ( 2.224 -0.223 0.000) 2.235 8.960 ( 0.304 -0.247 0.000) 0.392 9.258 ( 2.977 -3.168 0.000) 4.347 9.437 ( 6.514 0.952 0.000) 6.583 9.716 ( 4.167 2.637 0.000) 4.931 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -8.948 13.488 0.000) 16.186 1.094 ( -2.663 23.768 0.000) 23.917 1.535 ( -3.619 9.137 0.000) 9.827 1.682 ( -6.134 3.029 0.000) 6.841 1.757 ( -18.581 17.876 0.000) 25.784 1.862 ( -9.740 2.111 0.000) 9.966 1.955 ( -8.761 5.405 0.000) 10.294 1.967 ( -8.537 -3.008 0.000) 9.052 2.049 ( 0.197 -3.727 0.000) 3.732 2.199 ( -7.917 -1.762 0.000) 8.111 2.271 ( -10.096 -5.692 0.000) 11.590 2.292 ( -3.638 -4.152 0.000) 5.520 2.403 ( -0.433 -7.143 0.000) 7.156 2.544 ( -3.048 -0.627 0.000) 3.112 2.582 ( -8.536 -4.870 0.000) 9.827 2.728 ( -3.642 2.383 0.000) 4.353 2.890 ( -1.611 -6.497 0.000) 6.694 3.142 ( -0.476 7.894 0.000) 7.908 3.262 ( 1.890 0.081 0.000) 1.892 3.400 ( 2.011 0.836 0.000) 2.178 3.483 ( 0.912 -0.624 0.000) 1.105 3.578 ( -0.184 -3.849 0.000) 3.853 3.779 ( 2.194 -1.602 0.000) 2.717 3.781 ( 1.297 -12.015 0.000) 12.085 3.793 ( 3.830 3.095 0.000) 4.925 3.952 ( 4.033 0.883 0.000) 4.129 5.747 ( -23.247 1.393 0.000) 23.289 5.805 ( -28.835 -5.499 0.000) 29.354 6.216 ( -3.249 -5.396 0.000) 6.299 6.394 ( 0.916 -0.323 0.000) 0.971 6.585 ( -1.678 0.482 0.000) 1.746 6.593 ( -1.302 2.162 0.000) 2.524 6.780 ( 5.906 -0.201 0.000) 5.910 6.801 ( 0.949 -0.684 0.000) 1.170 6.877 ( 3.751 -5.557 0.000) 6.704 6.956 ( 1.041 2.147 0.000) 2.386 7.111 ( -3.928 -3.581 0.000) 5.315 7.266 ( -4.814 1.906 0.000) 5.177 7.288 ( -2.248 3.230 0.000) 3.935 7.489 ( -1.240 -0.995 0.000) 1.589 7.670 ( 3.581 -0.442 0.000) 3.609 7.835 ( 4.706 1.669 0.000) 4.993 8.544 ( 5.822 -1.919 0.000) 6.130 8.601 ( 0.890 -0.394 0.000) 0.973 8.972 ( 0.722 -0.244 0.000) 0.762 9.326 ( 2.105 -3.042 0.000) 3.699 9.553 ( 5.523 0.287 0.000) 5.530 9.765 ( 2.571 3.364 0.000) 4.234 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -0.000 17.865 0.000) 17.865 0.958 ( -0.000 26.018 0.000) 26.018 1.328 ( -0.000 36.444 0.000) 36.444 1.449 ( -0.000 11.993 0.000) 11.993 1.541 ( -0.000 8.454 0.000) 8.454 1.734 ( -0.000 2.799 0.000) 2.799 1.904 ( 0.000 -3.770 0.000) 3.770 1.916 ( 0.000 -6.792 0.000) 6.792 2.110 ( 0.000 -0.457 0.000) 0.457 2.114 ( 0.000 -6.169 0.000) 6.169 2.179 ( 0.000 -4.402 0.000) 4.402 2.301 ( 0.000 -5.449 0.000) 5.449 2.463 ( 0.000 -8.631 0.000) 8.631 2.499 ( 0.000 -3.036 0.000) 3.036 2.524 ( 0.000 -0.846 0.000) 0.846 2.684 ( -0.000 2.344 0.000) 2.344 2.916 ( 0.000 -7.134 0.000) 7.134 3.093 ( -0.000 7.645 0.000) 7.645 3.289 ( 0.000 -0.285 0.000) 0.285 3.413 ( -0.000 1.349 0.000) 1.349 3.499 ( 0.000 -0.491 0.000) 0.491 3.599 ( 0.000 -3.926 0.000) 3.926 3.788 ( -0.000 2.589 0.000) 2.589 3.815 ( 0.000 -3.427 0.000) 3.427 3.903 ( 0.000 -11.764 0.000) 11.764 4.004 ( 0.000 -0.812 0.000) 0.812 5.418 ( -0.000 3.783 0.000) 3.783 5.483 ( -0.000 3.128 0.000) 3.128 6.217 ( 0.000 -6.357 0.000) 6.357 6.430 ( 0.000 -4.305 0.000) 4.305 6.531 ( -0.000 8.258 0.000) 8.258 6.563 ( -0.000 0.879 0.000) 0.879 6.811 ( -0.000 1.505 0.000) 1.505 6.861 ( 0.000 -0.496 0.000) 0.496 6.970 ( 0.000 -1.573 0.000) 1.573 6.979 ( 0.000 -7.655 0.000) 7.655 7.044 ( 0.000 -0.290 0.000) 0.290 7.216 ( -0.000 1.577 0.000) 1.577 7.250 ( -0.000 2.686 0.000) 2.686 7.478 ( 0.000 -1.643 0.000) 1.643 7.706 ( -0.000 0.576 0.000) 0.576 7.870 ( -0.000 2.009 0.000) 2.009 8.612 ( 0.000 -0.456 0.000) 0.456 8.616 ( 0.000 -1.792 0.000) 1.792 8.982 ( 0.000 -0.217 0.000) 0.217 9.364 ( 0.000 -3.177 0.000) 3.177 9.617 ( 0.000 -0.893 0.000) 0.893 9.771 ( -0.000 3.776 0.000) 3.776 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -0.654 -0.000 0.000) 0.654 1.839 ( -6.487 -0.000 0.000) 6.487 2.027 ( -3.840 -0.000 0.000) 3.840 2.034 ( -11.304 -0.000 0.000) 11.304 2.162 ( -8.960 -0.000 0.000) 8.960 2.196 ( -3.379 -0.000 0.000) 3.379 2.365 ( -5.770 -0.000 0.000) 5.770 2.415 ( -3.961 -0.000 0.000) 3.961 2.445 ( -3.122 -0.000 0.000) 3.122 2.497 ( -4.128 -0.000 0.000) 4.128 2.595 ( -1.139 -0.000 0.000) 1.139 2.836 ( 0.009 0.000 0.000) 0.009 2.884 ( -1.870 -0.000 0.000) 1.870 2.952 ( 4.620 0.000 0.000) 4.620 2.999 ( 4.280 0.000 0.000) 4.280 3.087 ( 3.411 0.000 0.000) 3.411 3.129 ( -0.856 -0.000 0.000) 0.856 3.253 ( -2.138 -0.000 0.000) 2.138 3.317 ( 0.817 0.000 0.000) 0.817 3.318 ( 0.880 0.000 0.000) 0.880 3.558 ( 2.154 0.000 0.000) 2.154 3.565 ( 3.086 0.000 0.000) 3.086 3.654 ( -1.610 -0.000 0.000) 1.610 3.988 ( -2.640 -0.000 0.000) 2.640 4.140 ( -8.957 -0.000 0.000) 8.957 4.281 ( -9.754 -0.000 0.000) 9.754 6.154 ( 2.481 0.000 0.000) 2.481 6.218 ( -1.864 -0.000 0.000) 1.864 6.294 ( -5.536 -0.000 0.000) 5.536 6.439 ( -0.213 -0.000 0.000) 0.213 6.693 ( -6.956 -0.000 0.000) 6.956 6.749 ( -0.847 -0.000 0.000) 0.847 6.906 ( 1.281 0.000 0.000) 1.281 6.976 ( -6.903 -0.000 0.000) 6.903 7.016 ( -0.640 -0.000 0.000) 0.640 7.090 ( 0.981 0.000 0.000) 0.981 7.211 ( 5.874 0.000 0.000) 5.874 7.343 ( 2.504 0.000 0.000) 2.504 7.434 ( 3.012 0.000 0.000) 3.012 7.512 ( -2.179 -0.000 0.000) 2.179 7.763 ( -8.349 -0.000 0.000) 8.349 7.784 ( 4.100 0.000 0.000) 4.100 8.087 ( -5.379 -0.000 0.000) 5.379 8.273 ( 7.976 0.000 0.000) 7.976 8.998 ( -1.069 -0.000 0.000) 1.069 9.119 ( -1.184 -0.000 0.000) 1.184 9.167 ( 3.747 0.000 0.000) 3.747 9.477 ( 4.813 0.000 0.000) 4.813 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -10.507 0.368 0.000) 10.514 1.812 ( -0.202 -0.239 0.000) 0.313 1.861 ( -7.024 2.103 0.000) 7.332 1.946 ( -4.803 0.305 0.000) 4.813 2.006 ( -7.405 -4.672 0.000) 8.756 2.103 ( -6.290 -0.492 0.000) 6.309 2.252 ( -6.435 -0.652 0.000) 6.468 2.305 ( -7.695 -2.548 0.000) 8.106 2.371 ( -4.057 0.841 0.000) 4.143 2.438 ( -2.404 0.074 0.000) 2.405 2.625 ( 2.552 -2.294 0.000) 3.431 2.806 ( -3.307 3.716 0.000) 4.974 2.847 ( -1.784 -3.400 0.000) 3.839 3.011 ( 0.820 -0.383 0.000) 0.905 3.027 ( -4.692 2.514 0.000) 5.324 3.049 ( -3.879 -1.123 0.000) 4.039 3.157 ( 1.982 0.012 0.000) 1.982 3.192 ( -2.433 0.333 0.000) 2.455 3.344 ( 2.156 0.359 0.000) 2.186 3.347 ( 1.636 1.712 0.000) 2.368 3.602 ( 2.334 0.197 0.000) 2.343 3.617 ( -2.149 -0.032 0.000) 2.149 3.637 ( 3.754 -1.346 0.000) 3.988 3.902 ( -15.131 1.176 0.000) 15.177 3.913 ( -4.607 0.881 0.000) 4.690 4.020 ( -15.999 1.641 0.000) 16.083 6.193 ( -3.654 -0.028 0.000) 3.654 6.230 ( 4.067 -0.850 0.000) 4.155 6.231 ( 2.996 -0.206 0.000) 3.003 6.408 ( -3.300 -0.919 0.000) 3.426 6.613 ( -1.158 -0.193 0.000) 1.174 6.719 ( -2.065 -0.071 0.000) 2.066 6.852 ( -5.943 -0.200 0.000) 5.947 6.931 ( 1.571 0.228 0.000) 1.588 7.030 ( 1.539 1.286 0.000) 2.006 7.087 ( -2.330 -2.276 0.000) 3.257 7.323 ( 5.687 -0.468 0.000) 5.706 7.398 ( -10.525 0.501 0.000) 10.537 7.411 ( 5.348 1.229 0.000) 5.487 7.479 ( 1.760 -0.464 0.000) 1.820 7.616 ( -6.884 -0.161 0.000) 6.886 7.904 ( 7.000 -1.563 0.000) 7.172 7.933 ( -10.118 -0.573 0.000) 10.135 8.410 ( 6.319 0.052 0.000) 6.319 8.976 ( -1.099 -0.032 0.000) 1.100 9.117 ( 0.794 -0.898 0.000) 1.198 9.245 ( 4.417 0.239 0.000) 4.424 9.570 ( 4.925 0.408 0.000) 4.942 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -11.165 2.072 0.000) 11.355 1.694 ( -6.547 11.345 0.000) 13.098 1.803 ( -1.449 -0.167 0.000) 1.459 1.846 ( -5.022 1.594 0.000) 5.269 1.972 ( -1.797 -11.326 0.000) 11.467 1.985 ( -5.715 -2.485 0.000) 6.232 2.116 ( -8.113 -0.775 0.000) 8.150 2.194 ( -6.175 -8.171 0.000) 10.242 2.289 ( -4.200 0.517 0.000) 4.232 2.382 ( -3.646 1.359 0.000) 3.891 2.654 ( -3.285 -3.045 0.000) 4.480 2.694 ( -6.116 3.754 0.000) 7.176 2.814 ( -6.563 -3.163 0.000) 7.285 2.833 ( -10.793 2.982 0.000) 11.197 2.923 ( -8.908 -1.920 0.000) 9.113 2.979 ( -4.514 -0.990 0.000) 4.622 3.151 ( -4.862 2.433 0.000) 5.436 3.180 ( 0.572 0.314 0.000) 0.653 3.333 ( -2.369 2.798 0.000) 3.666 3.390 ( 2.700 1.200 0.000) 2.955 3.556 ( -6.359 2.444 0.000) 6.812 3.605 ( -9.558 -0.509 0.000) 9.571 3.638 ( -6.836 2.335 0.000) 7.224 3.655 ( 2.361 -0.279 0.000) 2.378 3.793 ( -0.243 -0.720 0.000) 0.760 3.835 ( -2.804 -0.110 0.000) 2.806 6.148 ( -1.478 -2.271 0.000) 2.709 6.297 ( 1.861 1.044 0.000) 2.134 6.317 ( 3.439 -0.048 0.000) 3.439 6.367 ( -0.794 -3.437 0.000) 3.528 6.616 ( 0.345 -0.246 0.000) 0.424 6.685 ( -1.346 0.147 0.000) 1.354 6.753 ( -4.654 -0.497 0.000) 4.681 6.939 ( -10.594 -0.246 0.000) 10.597 6.963 ( 1.611 0.497 0.000) 1.686 7.091 ( 0.487 -3.017 0.000) 3.056 7.100 ( -18.674 1.356 0.000) 18.723 7.426 ( 4.169 0.614 0.000) 4.214 7.488 ( 1.050 1.495 0.000) 1.827 7.511 ( -3.606 -0.946 0.000) 3.728 7.556 ( 8.050 -0.278 0.000) 8.055 7.685 ( -13.098 0.818 0.000) 13.124 8.106 ( 10.770 -4.191 0.000) 11.557 8.510 ( 4.097 -0.003 0.000) 4.097 8.960 ( -0.582 -0.081 0.000) 0.588 9.159 ( 2.679 -1.719 0.000) 3.183 9.335 ( 5.352 0.423 0.000) 5.368 9.658 ( 4.761 0.961 0.000) 4.857 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -10.009 5.759 0.000) 11.547 1.509 ( -4.009 18.058 0.000) 18.497 1.716 ( -6.606 0.810 0.000) 6.655 1.763 ( -2.585 1.857 0.000) 3.183 1.945 ( -6.803 -1.523 0.000) 6.971 1.949 ( -0.328 -3.444 0.000) 3.460 2.015 ( -3.538 -6.704 0.000) 7.580 2.163 ( -5.271 -12.773 0.000) 13.818 2.193 ( -6.207 0.973 0.000) 6.283 2.271 ( -5.122 3.767 0.000) 6.359 2.468 ( -17.134 -3.368 0.000) 17.462 2.494 ( -14.125 1.477 0.000) 14.202 2.574 ( -9.340 3.768 0.000) 10.071 2.686 ( -11.121 -2.963 0.000) 11.509 2.749 ( -12.361 3.243 0.000) 12.779 2.862 ( -7.043 0.273 0.000) 7.048 2.921 ( -9.381 4.568 0.000) 10.434 3.183 ( -0.269 -2.083 0.000) 2.100 3.283 ( -0.299 3.552 0.000) 3.565 3.388 ( -0.817 2.197 0.000) 2.345 3.456 ( 0.580 -0.879 0.000) 1.053 3.549 ( -1.416 -1.393 0.000) 1.986 3.581 ( -0.308 -6.425 0.000) 6.432 3.715 ( 3.226 -0.236 0.000) 3.235 3.803 ( 0.797 1.519 0.000) 1.716 3.876 ( 4.820 -0.067 0.000) 4.821 6.132 ( -4.149 -1.245 0.000) 4.331 6.195 ( -16.001 0.731 0.000) 16.017 6.259 ( -13.142 -4.370 0.000) 13.850 6.375 ( -1.459 -3.923 0.000) 4.186 6.609 ( -0.380 0.695 0.000) 0.792 6.637 ( -3.118 1.345 0.000) 3.396 6.704 ( 0.233 -1.153 0.000) 1.177 6.777 ( -2.767 -2.937 0.000) 4.035 6.802 ( -6.124 0.419 0.000) 6.138 6.995 ( 1.407 2.487 0.000) 2.857 7.100 ( -1.256 -2.813 0.000) 3.080 7.401 ( -2.829 3.386 0.000) 4.412 7.434 ( -7.671 2.481 0.000) 8.063 7.506 ( -2.737 -0.737 0.000) 2.834 7.559 ( 4.663 -2.386 0.000) 5.238 7.724 ( 8.660 0.832 0.000) 8.700 8.338 ( 10.493 -3.632 0.000) 11.103 8.568 ( 2.123 -0.173 0.000) 2.130 8.958 ( 0.292 -0.151 0.000) 0.329 9.229 ( 3.329 -2.027 0.000) 3.898 9.444 ( 6.240 0.418 0.000) 6.253 9.739 ( 4.355 1.674 0.000) 4.666 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -6.625 10.748 0.000) 12.626 1.352 ( -0.684 22.589 0.000) 22.600 1.604 ( -3.802 2.216 0.000) 4.401 1.706 ( -2.395 2.719 0.000) 3.623 1.826 ( -5.694 0.729 0.000) 5.740 1.911 ( -9.606 3.772 0.000) 10.320 1.953 ( -6.919 0.169 0.000) 6.922 2.017 ( -4.531 -1.698 0.000) 4.839 2.039 ( -7.133 2.993 0.000) 7.736 2.194 ( -8.053 -2.050 0.000) 8.310 2.207 ( -9.843 -5.835 0.000) 11.442 2.270 ( -9.626 3.646 0.000) 10.293 2.338 ( -3.575 -1.875 0.000) 4.037 2.528 ( -6.192 -3.044 0.000) 6.899 2.547 ( -5.362 -0.188 0.000) 5.365 2.748 ( -3.897 1.139 0.000) 4.060 2.830 ( -2.842 -4.039 0.000) 4.939 3.195 ( 0.156 -0.606 0.000) 0.626 3.267 ( 0.532 2.286 0.000) 2.347 3.402 ( 1.603 -0.311 0.000) 1.633 3.476 ( 0.687 -0.692 0.000) 0.975 3.545 ( -0.139 -1.993 0.000) 1.997 3.645 ( 1.202 -11.167 0.000) 11.232 3.770 ( 2.149 -0.201 0.000) 2.158 3.824 ( 2.146 1.931 0.000) 2.887 3.961 ( 3.903 0.769 0.000) 3.978 5.761 ( -22.149 1.159 0.000) 22.179 5.768 ( -25.738 -1.753 0.000) 25.798 6.163 ( -2.584 -4.082 0.000) 4.831 6.383 ( 0.353 -1.324 0.000) 1.371 6.588 ( -1.973 0.059 0.000) 1.974 6.605 ( -0.623 -0.237 0.000) 0.666 6.771 ( 5.074 -1.535 0.000) 5.301 6.792 ( 1.800 -0.687 0.000) 1.927 6.828 ( 4.163 -2.950 0.000) 5.102 6.997 ( 0.934 4.552 0.000) 4.647 7.079 ( -2.470 -2.233 0.000) 3.330 7.287 ( -5.336 1.792 0.000) 5.629 7.331 ( -1.870 4.644 0.000) 5.007 7.474 ( -2.043 -1.483 0.000) 2.524 7.655 ( 3.414 -2.440 0.000) 4.196 7.852 ( 4.955 1.385 0.000) 5.145 8.520 ( 6.364 -2.287 0.000) 6.762 8.597 ( 0.829 -0.337 0.000) 0.895 8.970 ( 0.761 -0.181 0.000) 0.782 9.297 ( 2.278 -2.189 0.000) 3.159 9.554 ( 4.898 0.006 0.000) 4.898 9.798 ( 2.738 2.501 0.000) 3.708 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 14.583 0.000) 14.583 1.228 ( -0.000 22.963 0.000) 22.963 1.550 ( -0.000 5.407 0.000) 5.407 1.632 ( -0.000 7.995 0.000) 7.995 1.681 ( -0.000 24.511 0.000) 24.511 1.765 ( -0.000 2.722 0.000) 2.722 1.845 ( 0.000 -4.934 0.000) 4.934 1.906 ( -0.000 6.792 0.000) 6.792 2.055 ( 0.000 -4.628 0.000) 4.628 2.099 ( 0.000 -1.461 0.000) 1.461 2.128 ( 0.000 -4.762 0.000) 4.762 2.229 ( 0.000 -7.529 0.000) 7.529 2.359 ( 0.000 -9.417 0.000) 9.417 2.470 ( 0.000 -2.030 0.000) 2.030 2.515 ( 0.000 -0.914 0.000) 0.914 2.705 ( -0.000 1.417 0.000) 1.417 2.835 ( 0.000 -6.802 0.000) 6.802 3.178 ( -0.000 6.191 0.000) 6.191 3.279 ( 0.000 -1.652 0.000) 1.652 3.420 ( -0.000 0.015 0.000) 0.015 3.490 ( 0.000 -1.128 0.000) 1.128 3.558 ( 0.000 -2.930 0.000) 2.930 3.724 ( 0.000 -12.104 0.000) 12.104 3.794 ( 0.000 -0.737 0.000) 0.737 3.848 ( -0.000 0.497 0.000) 0.497 4.001 ( -0.000 0.161 0.000) 0.161 5.457 ( -0.000 3.188 0.000) 3.188 5.514 ( -0.000 2.448 0.000) 2.448 6.157 ( 0.000 -4.401 0.000) 4.401 6.395 ( 0.000 -1.911 0.000) 1.911 6.568 ( -0.000 0.020 0.000) 0.020 6.590 ( -0.000 2.114 0.000) 2.114 6.817 ( 0.000 -0.180 0.000) 0.180 6.852 ( 0.000 -1.683 0.000) 1.683 6.903 ( 0.000 -5.341 0.000) 5.341 6.983 ( -0.000 3.754 0.000) 3.754 7.042 ( -0.000 0.012 0.000) 0.012 7.230 ( -0.000 0.848 0.000) 0.848 7.287 ( -0.000 4.234 0.000) 4.234 7.458 ( 0.000 -1.924 0.000) 1.924 7.701 ( 0.000 -1.610 0.000) 1.610 7.891 ( -0.000 1.778 0.000) 1.778 8.594 ( 0.000 -2.010 0.000) 2.010 8.607 ( 0.000 -0.433 0.000) 0.433 8.980 ( 0.000 -0.175 0.000) 0.175 9.332 ( 0.000 -2.514 0.000) 2.514 9.608 ( 0.000 -0.645 0.000) 0.645 9.809 ( -0.000 3.140 0.000) 3.140 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -10.631 -0.000 0.000) 10.631 1.802 ( -1.577 -0.000 0.000) 1.577 1.815 ( -0.164 -0.000 0.000) 0.164 1.852 ( -5.846 -0.000 0.000) 5.846 1.856 ( -4.301 -0.000 0.000) 4.301 1.970 ( -6.280 -0.000 0.000) 6.280 2.122 ( -7.048 -0.000 0.000) 7.048 2.138 ( -8.328 -0.000 0.000) 8.328 2.292 ( -4.413 -0.000 0.000) 4.413 2.390 ( -3.015 -0.000 0.000) 3.015 2.637 ( -2.848 -0.000 0.000) 2.848 2.724 ( -6.269 -0.000 0.000) 6.269 2.782 ( -4.788 -0.000 0.000) 4.788 2.858 ( -14.519 -0.000 0.000) 14.519 2.907 ( -7.540 -0.000 0.000) 7.540 2.973 ( -4.422 -0.000 0.000) 4.422 3.166 ( -2.714 -0.000 0.000) 2.714 3.180 ( -0.168 -0.000 0.000) 0.168 3.349 ( -2.100 -0.000 0.000) 2.100 3.396 ( 2.936 0.000 0.000) 2.936 3.572 ( -2.255 -0.000 0.000) 2.255 3.600 ( -14.641 -0.000 0.000) 14.641 3.652 ( -8.054 -0.000 0.000) 8.054 3.654 ( 2.547 0.000 0.000) 2.547 3.789 ( -0.627 -0.000 0.000) 0.627 3.834 ( -2.929 -0.000 0.000) 2.929 6.135 ( -1.528 -0.000 0.000) 1.528 6.305 ( 2.978 0.000 0.000) 2.978 6.317 ( 3.181 0.000 0.000) 3.181 6.346 ( -2.042 -0.000 0.000) 2.042 6.615 ( 0.395 0.000 0.000) 0.395 6.686 ( -1.078 -0.000 0.000) 1.078 6.750 ( -4.804 -0.000 0.000) 4.804 6.939 ( -11.859 -0.000 0.000) 11.859 6.966 ( 1.826 0.000 0.000) 1.826 7.073 ( 1.288 0.000 0.000) 1.288 7.108 ( -18.614 -0.000 0.000) 18.614 7.430 ( 5.497 0.000 0.000) 5.497 7.497 ( 0.350 0.000 0.000) 0.350 7.505 ( -4.611 -0.000 0.000) 4.611 7.553 ( 8.560 0.000 0.000) 8.560 7.691 ( -12.833 -0.000 0.000) 12.833 8.082 ( 11.114 0.000 0.000) 11.114 8.510 ( 4.058 0.000 0.000) 4.058 8.959 ( -0.586 -0.000 0.000) 0.586 9.149 ( 2.759 0.000 0.000) 2.759 9.337 ( 5.309 0.000 0.000) 5.309 9.664 ( 4.803 0.000 0.000) 4.803 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -8.746 2.165 0.000) 9.010 1.707 ( -1.546 16.953 0.000) 17.023 1.711 ( -7.267 -0.619 0.000) 7.294 1.788 ( -2.345 1.545 0.000) 2.808 1.892 ( 0.100 -10.933 0.000) 10.933 1.921 ( 0.308 -1.392 0.000) 1.425 1.972 ( -6.872 1.354 0.000) 7.004 2.032 ( -5.488 -8.836 0.000) 10.402 2.201 ( -5.167 0.449 0.000) 5.186 2.310 ( -5.103 2.152 0.000) 5.538 2.441 ( -17.898 -1.336 0.000) 17.948 2.507 ( -18.210 0.735 0.000) 18.225 2.599 ( -7.975 1.578 0.000) 8.130 2.643 ( -10.085 -3.369 0.000) 10.632 2.774 ( -7.439 0.804 0.000) 7.483 2.862 ( -6.538 -0.040 0.000) 6.538 3.006 ( -11.135 8.172 0.000) 13.812 3.140 ( -4.221 -5.141 0.000) 6.652 3.311 ( -0.350 1.415 0.000) 1.457 3.408 ( -3.511 1.202 0.000) 3.711 3.447 ( 1.548 -0.640 0.000) 1.675 3.526 ( -2.260 -2.827 0.000) 3.619 3.539 ( -1.225 -0.418 0.000) 1.295 3.714 ( 3.325 -0.065 0.000) 3.325 3.816 ( 0.828 0.615 0.000) 1.031 3.875 ( 5.603 -0.053 0.000) 5.603 6.125 ( -0.809 -0.224 0.000) 0.839 6.203 ( -16.955 0.554 0.000) 16.964 6.224 ( -17.192 -1.801 0.000) 17.286 6.341 ( 0.509 -1.829 0.000) 1.899 6.611 ( -0.742 0.006 0.000) 0.742 6.649 ( -4.406 0.726 0.000) 4.465 6.690 ( 1.107 -0.943 0.000) 1.454 6.759 ( -2.303 -0.619 0.000) 2.385 6.808 ( -6.885 0.442 0.000) 6.899 7.015 ( 2.281 0.964 0.000) 2.477 7.079 ( -0.885 -0.986 0.000) 1.325 7.434 ( -2.171 2.205 0.000) 3.094 7.460 ( -8.600 1.933 0.000) 8.814 7.494 ( -2.274 -1.295 0.000) 2.617 7.533 ( 4.499 -1.885 0.000) 4.878 7.731 ( 8.743 0.362 0.000) 8.751 8.309 ( 11.398 -1.415 0.000) 11.486 8.567 ( 2.067 -0.065 0.000) 2.068 8.956 ( 0.281 -0.051 0.000) 0.286 9.214 ( 3.521 -0.695 0.000) 3.589 9.447 ( 6.112 0.113 0.000) 6.113 9.752 ( 4.470 0.573 0.000) 4.506 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -5.238 6.151 0.000) 8.079 1.585 ( -1.114 19.403 0.000) 19.435 1.593 ( -4.983 -2.318 0.000) 5.496 1.746 ( -0.853 3.335 0.000) 3.443 1.838 ( -4.679 1.452 0.000) 4.899 1.915 ( -4.820 -3.399 0.000) 5.897 1.952 ( 0.627 -0.652 0.000) 0.904 2.006 ( -1.812 -6.536 0.000) 6.782 2.022 ( -13.724 2.566 0.000) 13.962 2.145 ( -8.744 -5.346 0.000) 10.249 2.159 ( -7.791 -0.786 0.000) 7.831 2.247 ( -8.993 -5.267 0.000) 10.422 2.432 ( -7.743 8.913 0.000) 11.806 2.500 ( -5.342 -1.736 0.000) 5.618 2.574 ( -7.984 5.516 0.000) 9.704 2.755 ( -4.085 0.194 0.000) 4.089 2.813 ( -4.724 1.683 0.000) 5.014 3.124 ( -1.854 -10.555 0.000) 10.716 3.305 ( 0.418 3.004 0.000) 3.033 3.397 ( 1.082 -0.431 0.000) 1.164 3.469 ( 0.436 -0.441 0.000) 0.620 3.532 ( 0.101 -0.529 0.000) 0.539 3.553 ( 1.504 -5.204 0.000) 5.417 3.771 ( 2.391 0.208 0.000) 2.400 3.838 ( 1.527 0.782 0.000) 1.716 3.968 ( 3.853 0.396 0.000) 3.874 5.758 ( -24.173 -0.318 0.000) 24.175 5.771 ( -21.708 0.628 0.000) 21.717 6.128 ( -1.427 -2.203 0.000) 2.625 6.371 ( 1.303 -0.745 0.000) 1.501 6.588 ( -2.333 -0.064 0.000) 2.334 6.595 ( -1.168 -1.135 0.000) 1.628 6.749 ( 3.773 -1.932 0.000) 4.238 6.787 ( 1.449 -0.259 0.000) 1.472 6.812 ( 4.873 -0.531 0.000) 4.902 7.041 ( 1.452 2.985 0.000) 3.320 7.061 ( -1.404 -1.051 0.000) 1.754 7.304 ( -6.164 1.154 0.000) 6.271 7.387 ( -0.956 4.932 0.000) 5.024 7.459 ( -2.321 -1.141 0.000) 2.586 7.620 ( 2.935 -3.418 0.000) 4.505 7.864 ( 5.061 0.780 0.000) 5.121 8.498 ( 6.894 -1.471 0.000) 7.049 8.594 ( 0.790 -0.194 0.000) 0.814 8.969 ( 0.786 -0.096 0.000) 0.792 9.278 ( 2.394 -1.135 0.000) 2.649 9.554 ( 4.600 -0.030 0.000) 4.600 9.819 ( 2.868 1.331 0.000) 3.162 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 9.984 0.000) 9.984 1.461 ( -0.000 19.281 0.000) 19.281 1.561 ( 0.000 -2.525 0.000) 2.525 1.711 ( -0.000 6.094 0.000) 6.094 1.787 ( -0.000 0.658 0.000) 0.658 1.819 ( -0.000 5.852 0.000) 5.852 1.824 ( -0.000 0.595 0.000) 0.595 2.011 ( 0.000 -3.214 0.000) 3.214 2.055 ( -0.000 9.667 0.000) 9.667 2.078 ( 0.000 -4.111 0.000) 4.111 2.079 ( 0.000 -2.087 0.000) 2.087 2.141 ( 0.000 -8.009 0.000) 8.009 2.302 ( -0.000 4.053 0.000) 4.053 2.455 ( 0.000 -0.740 0.000) 0.740 2.505 ( 0.000 -0.841 0.000) 0.841 2.714 ( -0.000 0.321 0.000) 0.321 2.777 ( 0.000 -3.321 0.000) 3.321 3.167 ( 0.000 -9.046 0.000) 9.046 3.289 ( -0.000 3.800 0.000) 3.800 3.415 ( 0.000 -0.766 0.000) 0.766 3.477 ( 0.000 -1.025 0.000) 1.025 3.539 ( 0.000 -0.827 0.000) 0.827 3.608 ( 0.000 -7.730 0.000) 7.730 3.793 ( -0.000 0.384 0.000) 0.384 3.854 ( -0.000 0.318 0.000) 0.318 4.005 ( -0.000 0.402 0.000) 0.402 5.485 ( -0.000 1.901 0.000) 1.901 5.535 ( -0.000 1.360 0.000) 1.360 6.121 ( 0.000 -2.191 0.000) 2.191 6.386 ( 0.000 -0.089 0.000) 0.089 6.565 ( 0.000 -0.334 0.000) 0.334 6.589 ( 0.000 -1.418 0.000) 1.418 6.810 ( 0.000 -0.990 0.000) 0.990 6.815 ( 0.000 -3.990 0.000) 3.990 6.875 ( 0.000 -0.635 0.000) 0.635 7.034 ( -0.000 4.543 0.000) 4.543 7.043 ( -0.000 0.135 0.000) 0.135 7.236 ( -0.000 0.282 0.000) 0.282 7.345 ( -0.000 6.075 0.000) 6.075 7.438 ( 0.000 -1.573 0.000) 1.573 7.671 ( 0.000 -3.686 0.000) 3.686 7.907 ( -0.000 1.200 0.000) 1.200 8.574 ( 0.000 -1.600 0.000) 1.600 8.602 ( 0.000 -0.309 0.000) 0.309 8.979 ( 0.000 -0.108 0.000) 0.108 9.310 ( 0.000 -1.588 0.000) 1.588 9.603 ( 0.000 -0.350 0.000) 0.350 9.838 ( -0.000 2.070 0.000) 2.070 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -4.763 -0.000 0.000) 4.763 1.578 ( -5.463 -0.000 0.000) 5.463 1.740 ( -1.551 -0.000 0.000) 1.551 1.765 ( -0.582 -0.000 0.000) 0.582 1.820 ( -8.564 -0.000 0.000) 8.564 1.881 ( 0.759 0.000 0.000) 0.759 1.946 ( 2.184 0.000 0.000) 2.184 1.956 ( 1.176 0.000 0.000) 1.176 2.049 ( -19.027 -0.000 0.000) 19.027 2.104 ( -5.006 -0.000 0.000) 5.006 2.176 ( -12.865 -0.000 0.000) 12.865 2.200 ( -7.656 -0.000 0.000) 7.656 2.472 ( -4.890 -0.000 0.000) 4.890 2.490 ( -4.188 -0.000 0.000) 4.188 2.620 ( -8.777 -0.000 0.000) 8.777 2.755 ( -4.154 -0.000 0.000) 4.154 2.851 ( -7.418 -0.000 0.000) 7.418 3.032 ( -2.896 -0.000 0.000) 2.896 3.322 ( 0.580 0.000 0.000) 0.580 3.394 ( 0.868 0.000 0.000) 0.868 3.467 ( 0.363 0.000 0.000) 0.363 3.526 ( 1.891 0.000 0.000) 1.891 3.530 ( 0.182 0.000 0.000) 0.182 3.772 ( 2.531 0.000 0.000) 2.531 3.842 ( 1.329 0.000 0.000) 1.329 3.970 ( 3.822 0.000 0.000) 3.822 5.756 ( -23.799 -0.000 0.000) 23.799 5.774 ( -21.623 -0.000 0.000) 21.623 6.116 ( -0.823 -0.000 0.000) 0.823 6.367 ( 1.878 0.000 0.000) 1.878 6.587 ( -2.494 -0.000 0.000) 2.494 6.588 ( -1.417 -0.000 0.000) 1.417 6.738 ( 3.360 0.000 0.000) 3.360 6.785 ( 1.103 0.000 0.000) 1.103 6.809 ( 5.049 0.000 0.000) 5.049 7.055 ( -1.013 -0.000 0.000) 1.013 7.058 ( 1.617 0.000 0.000) 1.617 7.310 ( -6.606 -0.000 0.000) 6.606 7.420 ( -0.301 -0.000 0.000) 0.301 7.452 ( -2.317 -0.000 0.000) 2.317 7.596 ( 2.556 0.000 0.000) 2.556 7.868 ( 5.085 0.000 0.000) 5.085 8.490 ( 7.108 0.000 0.000) 7.108 8.593 ( 0.777 0.000 0.000) 0.777 8.968 ( 0.795 0.000 0.000) 0.795 9.272 ( 2.435 0.000 0.000) 2.435 9.554 ( 4.516 0.000 0.000) 4.516 9.827 ( 2.917 0.000 0.000) 2.917 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -0.000 3.644 0.000) 3.644 1.529 ( 0.000 -2.030 0.000) 2.030 1.647 ( -0.000 14.148 0.000) 14.148 1.760 ( -0.000 2.463 0.000) 2.463 1.762 ( 0.000 -6.027 0.000) 6.027 1.836 ( -0.000 0.888 0.000) 0.888 1.877 ( -0.000 4.339 0.000) 4.339 1.986 ( 0.000 -1.239 0.000) 1.239 2.043 ( 0.000 -4.951 0.000) 4.951 2.044 ( 0.000 -1.806 0.000) 1.806 2.059 ( 0.000 -1.094 0.000) 1.094 2.070 ( 0.000 -3.808 0.000) 3.808 2.431 ( -0.000 10.438 0.000) 10.438 2.451 ( 0.000 -0.093 0.000) 0.093 2.498 ( 0.000 -0.375 0.000) 0.375 2.715 ( 0.000 -0.055 0.000) 0.055 2.770 ( -0.000 1.816 0.000) 1.816 3.039 ( 0.000 -10.462 0.000) 10.462 3.323 ( -0.000 1.764 0.000) 1.764 3.408 ( 0.000 -0.345 0.000) 0.345 3.470 ( 0.000 -0.331 0.000) 0.331 3.534 ( 0.000 -0.154 0.000) 0.154 3.557 ( 0.000 -2.004 0.000) 2.004 3.798 ( -0.000 0.308 0.000) 0.308 3.856 ( -0.000 0.110 0.000) 0.110 4.008 ( -0.000 0.122 0.000) 0.122 5.499 ( -0.000 0.588 0.000) 0.588 5.545 ( -0.000 0.403 0.000) 0.403 6.106 ( 0.000 -0.582 0.000) 0.582 6.388 ( -0.000 0.256 0.000) 0.256 6.562 ( 0.000 -0.187 0.000) 0.187 6.574 ( 0.000 -0.893 0.000) 0.893 6.783 ( 0.000 -1.574 0.000) 1.574 6.800 ( 0.000 -0.552 0.000) 0.552 6.873 ( 0.000 -0.023 0.000) 0.023 7.045 ( -0.000 0.073 0.000) 0.073 7.069 ( -0.000 1.627 0.000) 1.627 7.237 ( -0.000 0.041 0.000) 0.041 7.407 ( -0.000 4.034 0.000) 4.034 7.426 ( 0.000 -0.611 0.000) 0.611 7.629 ( 0.000 -2.884 0.000) 2.884 7.916 ( -0.000 0.421 0.000) 0.421 8.561 ( 0.000 -0.611 0.000) 0.611 8.600 ( 0.000 -0.112 0.000) 0.112 8.978 ( 0.000 -0.036 0.000) 0.036 9.298 ( 0.000 -0.541 0.000) 0.541 9.601 ( 0.000 -0.106 0.000) 0.106 9.854 ( -0.000 0.722 0.000) 0.722 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 0.000 20.600) 20.600 0.439 ( 0.000 0.000 23.733) 23.733 0.803 ( 0.000 0.000 40.276) 40.276 1.063 ( 0.000 0.000 -10.115) 10.115 1.184 ( 0.000 0.000 -16.072) 16.072 1.796 ( 0.000 0.000 8.850) 8.850 2.004 ( 0.000 0.000 -6.512) 6.512 2.057 ( 0.000 0.000 -4.878) 4.878 2.096 ( 0.000 0.000 2.644) 2.644 2.261 ( 0.000 0.000 -20.498) 20.498 2.291 ( 0.000 0.000 2.633) 2.633 2.374 ( 0.000 0.000 -1.376) 1.376 2.391 ( 0.000 0.000 3.636) 3.636 2.539 ( 0.000 0.000 0.647) 0.647 2.568 ( 0.000 0.000 -0.632) 0.632 2.577 ( 0.000 0.000 -4.161) 4.161 3.010 ( 0.000 0.000 12.492) 12.492 3.157 ( 0.000 0.000 -0.115) 0.115 3.275 ( 0.000 0.000 -0.003) 0.003 3.406 ( 0.000 0.000 0.022) 0.022 3.484 ( 0.000 0.000 -1.896) 1.896 3.536 ( 0.000 0.000 -7.706) 7.706 3.886 ( 0.000 0.000 3.003) 3.003 3.908 ( 0.000 0.000 2.360) 2.360 3.992 ( 0.000 0.000 3.342) 3.342 4.131 ( 0.000 0.000 -2.759) 2.759 5.349 ( 0.000 0.000 1.175) 1.175 5.402 ( 0.000 0.000 -1.153) 1.153 6.405 ( 0.000 0.000 0.564) 0.564 6.419 ( 0.000 0.000 0.672) 0.672 6.459 ( 0.000 0.000 -2.006) 2.006 6.469 ( 0.000 0.000 -1.795) 1.795 6.625 ( 0.000 0.000 2.258) 2.258 6.695 ( 0.000 0.000 -1.108) 1.108 6.929 ( 0.000 0.000 5.622) 5.622 7.076 ( 0.000 0.000 1.573) 1.573 7.084 ( 0.000 0.000 0.313) 0.313 7.149 ( 0.000 0.000 -1.605) 1.605 7.308 ( 0.000 0.000 -2.306) 2.306 7.386 ( 0.000 0.000 -5.134) 5.134 7.589 ( 0.000 0.000 5.850) 5.850 7.802 ( 0.000 0.000 -4.709) 4.709 8.674 ( 0.000 0.000 5.472) 5.472 8.926 ( 0.000 0.000 -6.066) 6.066 9.340 ( 0.000 0.000 3.051) 3.051 9.435 ( 0.000 0.000 -1.452) 1.452 9.570 ( 0.000 0.000 3.890) 3.890 9.729 ( 0.000 0.000 -3.044) 3.044 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 22.739 -1.761 10.810) 25.240 0.762 ( 15.786 -3.831 20.611) 26.243 1.138 ( 20.846 -5.059 0.212) 21.452 1.200 ( 23.659 -6.957 13.271) 28.004 1.390 ( 16.170 -2.490 -13.526) 21.228 1.875 ( 6.339 -0.420 6.370) 8.996 2.015 ( 1.440 4.523 -2.728) 5.475 2.075 ( 7.185 -1.209 -0.335) 7.293 2.209 ( 6.945 4.392 -3.240) 8.833 2.272 ( 1.125 1.456 0.805) 2.008 2.308 ( 3.321 -5.908 -10.626) 12.604 2.408 ( 3.564 -0.313 -6.925) 7.794 2.465 ( 8.366 0.858 3.524) 9.118 2.558 ( 2.451 1.369 -0.963) 2.968 2.565 ( 2.855 0.210 0.727) 2.954 2.665 ( 6.551 0.674 -3.164) 7.306 3.007 ( 0.000 -0.246 10.492) 10.495 3.127 ( -1.950 1.993 -0.331) 2.808 3.257 ( -1.514 0.498 0.308) 1.623 3.366 ( -2.984 -0.267 0.679) 3.072 3.472 ( -0.936 0.497 -2.247) 2.485 3.513 ( -1.860 -2.718 -5.930) 6.783 3.792 ( -2.719 -0.302 7.717) 8.187 3.872 ( -1.925 -1.735 1.823) 3.168 3.935 ( -5.063 2.194 3.159) 6.358 4.067 ( -5.671 2.527 -2.696) 6.769 5.726 ( 29.247 -0.012 1.391) 29.280 6.048 ( 26.804 6.758 -19.389) 33.764 6.301 ( -4.540 -0.490 1.215) 4.725 6.387 ( 3.406 1.683 -4.599) 5.965 6.532 ( 5.177 -2.465 0.718) 5.779 6.620 ( 4.240 -1.336 -2.695) 5.198 6.683 ( 0.663 -0.271 -2.932) 3.018 6.719 ( 5.475 -2.091 -9.509) 11.170 6.894 ( 4.171 0.413 3.918) 5.737 7.043 ( -2.995 1.283 0.111) 3.260 7.179 ( 7.435 2.024 1.056) 7.777 7.230 ( 6.168 -2.701 -0.922) 6.796 7.285 ( 0.301 4.642 -1.523) 4.895 7.377 ( -2.466 -5.168 -6.492) 8.657 7.560 ( -3.079 -0.538 5.048) 5.937 7.768 ( -3.491 -0.401 -4.802) 5.951 8.663 ( -1.018 0.167 5.419) 5.516 8.886 ( -6.148 2.635 0.134) 6.690 9.029 ( -14.355 4.263 16.445) 22.242 9.364 ( -6.039 2.667 -4.879) 8.209 9.557 ( -2.729 -3.422 4.875) 6.551 9.673 ( -3.499 -1.657 0.088) 3.873 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 15.657 -3.042 14.435) 21.512 1.127 ( 23.951 -0.155 4.607) 24.391 1.431 ( 14.908 -2.765 -6.247) 16.399 1.656 ( 9.089 -1.846 -10.689) 14.152 1.903 ( 29.868 -6.180 8.107) 31.560 1.990 ( 7.635 -3.586 2.138) 8.702 2.035 ( 2.413 2.672 -3.188) 4.809 2.241 ( 3.122 2.916 5.131) 6.676 2.264 ( 8.496 -0.069 6.487) 10.689 2.383 ( 4.047 0.905 -1.744) 4.499 2.441 ( 11.113 1.471 -3.261) 11.675 2.582 ( 12.775 -4.159 -10.915) 17.310 2.625 ( 5.445 2.803 -1.374) 6.277 2.642 ( 10.186 0.600 -1.280) 10.284 2.698 ( 12.447 0.782 2.422) 12.705 2.822 ( 10.561 -0.119 -2.561) 10.867 3.028 ( 2.261 0.158 5.376) 5.835 3.077 ( -1.715 1.518 0.230) 2.302 3.222 ( -1.819 -0.344 1.035) 2.121 3.307 ( -3.646 -0.965 0.671) 3.831 3.447 ( -1.244 0.713 -3.282) 3.581 3.495 ( -1.593 -2.149 -6.198) 6.750 3.762 ( -3.583 2.071 4.831) 6.361 3.793 ( -5.687 0.429 3.041) 6.464 3.860 ( -0.745 -0.613 1.953) 2.178 3.909 ( -8.128 2.169 -1.925) 8.630 6.169 ( 4.501 -0.194 -2.094) 4.968 6.174 ( 0.078 -0.462 -2.271) 2.318 6.394 ( 20.664 -1.662 4.997) 21.324 6.487 ( 0.933 3.177 1.051) 3.474 6.616 ( 2.498 -0.237 1.788) 3.081 6.649 ( 0.487 1.888 0.278) 1.969 6.681 ( 2.847 -1.490 -2.262) 3.930 6.813 ( 5.147 -0.703 -3.739) 6.401 6.976 ( 0.479 3.721 1.085) 3.905 7.097 ( 9.630 8.830 -8.032) 15.336 7.225 ( 1.287 0.732 -1.307) 1.975 7.348 ( 1.542 -2.501 -5.380) 6.130 7.354 ( 4.620 -3.077 0.356) 5.562 7.392 ( 5.063 0.231 -1.174) 5.203 7.493 ( -3.778 -2.633 1.853) 4.963 7.685 ( -4.565 0.022 -4.877) 6.680 8.633 ( -2.132 0.264 5.731) 6.120 8.682 ( -7.589 4.553 15.224) 17.610 8.929 ( -1.502 0.141 -3.232) 3.567 9.211 ( -7.342 3.453 -9.907) 12.805 9.514 ( -3.160 -2.248 6.187) 7.302 9.614 ( -3.995 -2.686 0.245) 4.820 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 14.926 -2.186 7.444) 16.822 1.555 ( 20.912 2.218 0.698) 21.041 1.711 ( 12.184 -0.762 -3.654) 12.743 1.779 ( 4.056 -0.708 -5.307) 6.717 2.049 ( 3.601 -0.153 -4.953) 6.125 2.074 ( 3.150 -0.499 -4.001) 5.117 2.318 ( 6.661 4.140 3.112) 8.438 2.336 ( 4.825 3.799 2.310) 6.561 2.450 ( 5.936 2.534 6.199) 8.949 2.504 ( 14.012 -5.686 2.540) 15.333 2.611 ( 9.206 -4.636 2.583) 10.626 2.679 ( 3.523 4.774 1.552) 6.133 2.843 ( 9.164 -2.533 -4.692) 10.603 2.853 ( 9.817 1.696 -2.825) 10.355 2.949 ( 8.552 1.278 2.249) 8.935 3.065 ( 6.903 -0.220 -0.399) 6.918 3.074 ( 6.272 0.854 -0.109) 6.331 3.101 ( 6.709 -0.525 -2.898) 7.327 3.198 ( -1.796 0.219 2.892) 3.411 3.267 ( 2.275 -3.549 2.824) 5.074 3.426 ( 0.116 0.433 -5.833) 5.851 3.486 ( 1.449 -0.344 -6.127) 6.305 3.612 ( -6.615 0.586 0.629) 6.671 3.673 ( -7.975 -0.306 -1.416) 8.106 3.825 ( -0.258 -0.912 4.808) 4.901 3.871 ( 0.907 -0.095 2.472) 2.635 6.188 ( 1.210 -1.115 -1.447) 2.191 6.203 ( 1.123 -2.139 -1.700) 2.954 6.409 ( -4.305 2.338 3.907) 6.266 6.552 ( -1.216 2.719 -2.934) 4.181 6.672 ( 0.034 0.470 4.171) 4.198 6.704 ( 4.713 0.102 3.344) 5.780 6.777 ( 5.403 0.515 -1.328) 5.587 6.882 ( 0.823 -0.695 -3.755) 3.907 7.115 ( 12.285 4.478 0.702) 13.094 7.134 ( 3.949 5.817 0.711) 7.066 7.264 ( 1.024 0.381 0.197) 1.110 7.349 ( -3.361 -3.387 1.232) 4.928 7.395 ( -0.565 -1.507 -2.417) 2.903 7.438 ( -2.115 -1.094 -5.626) 6.109 7.526 ( 6.271 -0.948 1.782) 6.588 7.677 ( 4.874 0.276 -3.956) 6.283 8.541 ( -4.664 6.704 10.721) 13.477 8.583 ( -3.389 0.278 7.526) 8.259 8.911 ( -0.469 0.137 -6.242) 6.261 9.067 ( -5.617 3.367 -13.138) 14.680 9.466 ( -2.751 -0.810 6.674) 7.264 9.553 ( -3.974 -3.314 0.641) 5.214 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 12.180 -0.987 2.947) 12.570 1.825 ( 2.326 0.371 -0.700) 2.457 1.879 ( 7.377 0.536 -3.148) 8.039 1.891 ( 12.004 1.614 -3.989) 12.752 2.133 ( 5.436 0.346 -2.570) 6.023 2.174 ( 6.796 -0.886 -3.677) 7.777 2.376 ( 3.083 6.532 1.329) 7.344 2.410 ( 5.007 5.289 -0.015) 7.283 2.517 ( 4.095 1.184 6.285) 7.594 2.646 ( 2.079 -0.360 -1.898) 2.838 2.707 ( 3.366 3.129 5.613) 7.255 2.872 ( 9.449 -3.504 2.292) 10.335 2.935 ( 0.503 0.991 -1.994) 2.282 2.961 ( -1.618 3.548 -0.145) 3.902 2.981 ( 3.670 1.970 -0.222) 4.171 3.023 ( -4.581 1.985 -2.307) 5.500 3.113 ( -4.554 -1.021 3.962) 6.122 3.191 ( 1.968 0.397 1.353) 2.422 3.227 ( 4.321 0.356 -2.394) 4.953 3.324 ( -1.550 -2.334 4.253) 5.093 3.469 ( 0.080 -1.253 -7.368) 7.474 3.552 ( -2.207 -3.544 -5.680) 7.050 3.661 ( 9.883 -5.928 0.528) 11.537 3.689 ( 11.931 -4.689 -1.899) 12.959 3.857 ( 4.359 -0.322 5.010) 6.648 3.911 ( 5.106 -0.045 2.041) 5.499 6.205 ( -0.887 1.274 -2.021) 2.548 6.228 ( 1.067 0.722 -2.580) 2.884 6.370 ( 2.313 1.220 5.669) 6.243 6.524 ( 0.519 2.029 -0.482) 2.149 6.659 ( 0.217 0.428 1.862) 1.923 6.764 ( 2.203 1.540 2.620) 3.754 6.847 ( 0.787 -0.208 -3.396) 3.492 6.887 ( 1.860 0.752 -1.726) 2.647 7.105 ( -1.028 3.131 2.648) 4.228 7.212 ( -1.710 1.998 -1.530) 3.043 7.269 ( -2.892 -2.459 -0.703) 3.861 7.304 ( -5.185 -2.240 -1.042) 5.744 7.413 ( 7.485 0.873 0.616) 7.561 7.457 ( 0.813 -1.014 -1.248) 1.802 7.650 ( 5.987 0.410 1.612) 6.213 7.783 ( 4.198 -1.751 -4.422) 6.344 8.409 ( -4.586 8.629 10.056) 14.022 8.507 ( -4.305 0.018 9.889) 10.785 8.904 ( -0.345 0.108 -8.959) 8.966 8.961 ( -3.626 3.193 -14.984) 15.744 9.417 ( -2.627 -0.120 7.156) 7.624 9.501 ( -3.395 -2.870 1.185) 4.601 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 3.782 -0.305 0.786) 3.875 1.854 ( 1.688 -0.195 -0.009) 1.699 1.973 ( 5.555 -0.212 -2.430) 6.067 2.073 ( 6.080 0.341 -7.795) 9.892 2.250 ( 6.492 2.347 1.874) 7.153 2.311 ( 6.570 0.257 -2.858) 7.169 2.386 ( 2.377 7.047 1.429) 7.573 2.447 ( 2.154 4.815 -0.740) 5.326 2.595 ( 4.068 0.871 3.756) 5.605 2.641 ( -0.307 4.176 0.253) 4.195 2.759 ( 1.763 1.138 2.086) 2.958 2.850 ( -4.135 4.581 0.339) 6.180 2.866 ( -2.777 1.634 0.770) 3.313 2.926 ( -3.228 -0.879 -2.624) 4.252 3.003 ( -2.248 -1.228 1.526) 2.982 3.025 ( -0.154 -1.568 2.091) 2.619 3.066 ( 1.105 -1.843 2.638) 3.403 3.210 ( 0.767 -0.982 1.666) 2.081 3.292 ( 2.936 0.890 -2.895) 4.219 3.321 ( -0.023 -2.076 1.692) 2.678 3.485 ( 0.576 -2.313 -3.835) 4.515 3.538 ( -1.562 -5.015 -6.565) 8.408 3.760 ( 0.427 -1.510 4.261) 4.541 3.822 ( 1.611 2.367 0.468) 2.901 4.050 ( 11.695 -3.713 2.726) 12.570 4.144 ( 13.305 -4.581 -1.459) 14.147 6.165 ( -1.449 1.822 -0.676) 2.424 6.227 ( 0.054 2.983 -4.303) 5.236 6.449 ( 5.343 1.107 6.491) 8.479 6.548 ( 2.331 1.253 4.407) 5.141 6.701 ( 4.334 0.258 -2.337) 4.931 6.766 ( -0.318 1.472 -1.048) 1.835 6.843 ( -1.615 -1.255 0.446) 2.094 6.916 ( 0.942 0.056 -3.078) 3.219 7.103 ( 2.561 2.359 0.633) 3.539 7.145 ( -3.100 1.224 -1.206) 3.544 7.229 ( -3.522 -1.566 0.427) 3.878 7.245 ( -1.382 -2.494 -0.561) 2.906 7.426 ( -2.623 0.533 1.206) 2.936 7.510 ( 1.687 0.354 -1.301) 2.159 7.733 ( 2.456 1.547 -1.091) 3.101 7.843 ( 1.591 -2.858 -3.330) 4.668 8.285 ( -3.607 6.854 11.054) 13.498 8.426 ( -3.978 -0.175 12.699) 13.308 8.882 ( -1.764 1.491 -16.356) 16.519 8.905 ( -0.806 0.923 -11.183) 11.250 9.372 ( -1.989 -0.079 7.658) 7.913 9.454 ( -2.742 -1.758 1.895) 3.769 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.367 0.027 0.748) 0.834 1.877 ( 0.230 -0.434 -0.681) 0.839 2.074 ( 3.567 0.288 -2.750) 4.513 2.143 ( 1.523 -0.632 -5.458) 5.701 2.290 ( 0.234 3.125 2.739) 4.162 2.403 ( 2.593 0.262 -3.373) 4.262 2.416 ( 2.419 1.723 0.331) 2.989 2.456 ( 1.197 2.174 -2.260) 3.357 2.620 ( 0.289 2.045 0.695) 2.179 2.642 ( 0.970 0.998 0.654) 1.537 2.732 ( -1.150 1.641 1.686) 2.619 2.808 ( -0.477 -0.831 -0.194) 0.977 2.861 ( 0.361 -0.194 0.369) 0.551 2.874 ( -0.993 0.175 0.012) 1.009 2.957 ( -1.903 -0.960 5.122) 5.548 3.003 ( -1.623 -0.577 4.926) 5.219 3.091 ( 0.081 -0.811 -0.381) 0.900 3.233 ( 0.830 -0.240 -0.380) 0.944 3.328 ( 1.223 0.805 -3.072) 3.403 3.332 ( -0.031 -1.325 0.850) 1.574 3.504 ( 0.306 -0.837 -1.585) 1.819 3.539 ( -0.647 -2.444 -6.199) 6.695 3.762 ( -0.233 -0.421 4.213) 4.240 3.821 ( 0.219 1.812 0.515) 1.897 4.227 ( 4.501 -1.580 2.993) 5.632 4.348 ( 5.133 -2.025 -2.286) 5.973 6.141 ( -0.347 0.670 -0.358) 0.835 6.212 ( -0.109 1.409 -4.632) 4.842 6.524 ( 2.186 0.407 8.720) 8.999 6.584 ( 1.864 1.307 5.281) 5.750 6.751 ( 0.938 1.298 -1.291) 2.057 6.792 ( -1.381 -2.350 -2.626) 3.785 6.820 ( 3.516 0.307 -1.242) 3.742 6.922 ( -0.938 -0.332 -6.057) 6.139 7.091 ( -1.787 0.700 -0.034) 1.920 7.109 ( -1.541 0.994 -0.528) 1.909 7.213 ( 2.188 -0.192 2.616) 3.415 7.262 ( 0.865 -1.489 -0.709) 1.863 7.361 ( -3.085 0.359 2.423) 3.939 7.510 ( -0.575 0.444 -3.237) 3.317 7.727 ( -0.933 0.889 -0.630) 1.435 7.893 ( 1.606 -1.443 -6.700) 7.039 8.206 ( -1.594 2.683 14.510) 14.842 8.369 ( -1.803 -0.191 14.048) 14.164 8.852 ( -0.504 0.808 -17.616) 17.642 8.891 ( -0.408 0.045 -11.847) 11.854 9.346 ( -0.732 -0.033 7.842) 7.876 9.422 ( -1.135 -0.587 2.551) 2.853 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 16.156 0.000 14.856) 21.948 1.129 ( 24.873 0.000 4.164) 25.219 1.415 ( 15.731 0.000 -5.995) 16.835 1.645 ( 9.705 0.000 -11.179) 14.803 1.861 ( 35.483 0.000 11.839) 37.406 1.975 ( 4.017 0.000 0.606) 4.063 2.051 ( 1.156 0.000 -3.193) 3.396 2.260 ( 2.947 0.000 6.161) 6.830 2.264 ( 8.514 0.000 6.454) 10.683 2.382 ( 6.294 0.000 -4.702) 7.856 2.460 ( 8.172 0.000 -1.518) 8.312 2.550 ( 14.553 0.000 -14.355) 20.441 2.643 ( 5.004 0.000 -0.720) 5.055 2.645 ( 10.089 0.000 -0.504) 10.102 2.703 ( 12.482 0.000 2.406) 12.712 2.821 ( 10.217 0.000 -2.545) 10.530 3.028 ( 2.761 0.000 6.898) 7.430 3.087 ( -2.582 -0.000 -0.177) 2.588 3.221 ( -2.117 -0.000 0.835) 2.276 3.301 ( -3.767 -0.000 0.906) 3.874 3.453 ( -1.268 -0.000 -2.723) 3.004 3.480 ( -0.895 -0.000 -6.863) 6.921 3.771 ( -0.383 -0.000 6.002) 6.015 3.798 ( -8.501 -0.000 2.070) 8.749 3.856 ( -0.374 -0.000 2.007) 2.041 3.922 ( -9.531 -0.000 -2.196) 9.781 6.169 ( 0.046 0.000 -2.087) 2.087 6.169 ( 1.843 0.000 -2.536) 3.135 6.385 ( 22.802 0.000 5.595) 23.478 6.505 ( -0.755 -0.000 1.322) 1.522 6.615 ( 3.171 0.000 1.679) 3.588 6.661 ( -0.256 -0.000 0.007) 0.256 6.671 ( 4.229 0.000 -2.860) 5.105 6.809 ( 5.184 0.000 -3.416) 6.208 6.998 ( 0.081 0.000 1.748) 1.750 7.154 ( 13.706 0.000 -10.960) 17.549 7.248 ( -0.923 -0.000 -1.481) 1.745 7.283 ( -2.883 -0.000 -4.676) 5.494 7.362 ( 7.812 0.000 -0.872) 7.861 7.395 ( 6.683 0.000 -1.054) 6.765 7.475 ( -5.317 -0.000 2.773) 5.997 7.685 ( -4.282 -0.000 -5.330) 6.837 8.634 ( -2.132 -0.000 5.782) 6.163 8.709 ( -7.991 -0.000 16.297) 18.151 8.930 ( -1.580 -0.000 -3.026) 3.414 9.231 ( -7.779 -0.000 -9.046) 11.930 9.501 ( -2.375 -0.000 5.504) 5.994 9.598 ( -3.994 -0.000 0.234) 4.001 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 15.678 -0.774 7.599) 17.440 1.575 ( 21.482 1.095 0.004) 21.510 1.705 ( 13.192 -0.233 -3.138) 13.563 1.773 ( 4.322 -0.307 -6.084) 7.469 2.043 ( 3.613 -0.476 -5.002) 6.188 2.073 ( 2.166 0.039 -3.081) 3.766 2.352 ( 7.104 1.692 3.564) 8.126 2.366 ( 4.525 1.626 4.976) 6.920 2.444 ( 21.041 -2.793 6.070) 22.077 2.494 ( 5.119 2.992 1.671) 6.160 2.565 ( 5.562 -3.439 1.709) 6.759 2.715 ( 2.977 1.670 0.608) 3.467 2.818 ( 9.176 -1.339 -6.035) 11.064 2.867 ( 10.624 0.590 -2.984) 11.051 2.959 ( 10.108 0.458 2.479) 10.418 3.063 ( 5.335 0.028 -0.080) 5.336 3.069 ( 9.362 -0.799 -0.906) 9.439 3.111 ( 5.190 1.046 -2.122) 5.704 3.208 ( -0.660 1.531 3.213) 3.620 3.232 ( 1.515 -2.685 3.416) 4.601 3.430 ( -0.471 0.164 -5.436) 5.458 3.485 ( 2.170 -0.025 -6.662) 7.006 3.618 ( -8.996 0.292 0.437) 9.011 3.670 ( -11.085 -0.170 -1.473) 11.184 3.818 ( 0.168 -0.313 5.178) 5.191 3.870 ( 1.508 -0.064 2.368) 2.808 6.180 ( 1.735 -0.256 -1.550) 2.340 6.184 ( 1.669 -1.098 -1.595) 2.557 6.427 ( -4.577 0.835 4.025) 6.152 6.572 ( -1.259 0.866 -3.077) 3.435 6.676 ( -0.317 0.159 4.560) 4.574 6.706 ( 5.630 0.141 3.042) 6.401 6.781 ( 5.843 0.169 -1.207) 5.969 6.877 ( 1.174 -0.258 -3.615) 3.810 7.157 ( 14.767 2.713 1.491) 15.088 7.199 ( -1.089 5.291 0.253) 5.408 7.248 ( -0.316 -2.987 -0.132) 3.007 7.312 ( -1.735 -2.723 0.438) 3.258 7.395 ( 0.215 1.044 -3.940) 4.082 7.422 ( -4.189 -1.490 -3.184) 5.469 7.519 ( 7.653 -0.266 1.116) 7.739 7.679 ( 4.241 0.072 -4.746) 6.365 8.578 ( -3.803 0.380 7.190) 8.143 8.601 ( -3.767 2.367 11.273) 12.119 8.912 ( -0.455 0.056 -6.438) 6.455 9.092 ( -6.153 1.140 -11.331) 12.944 9.463 ( -1.703 0.159 5.033) 5.316 9.523 ( -4.179 -1.805 1.146) 4.694 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 12.756 -0.507 2.762) 13.062 1.827 ( 1.848 0.073 -1.231) 2.222 1.879 ( 5.139 -0.124 -1.847) 5.462 1.912 ( 13.659 1.566 -6.286) 15.118 2.134 ( 6.200 -0.035 -3.071) 6.919 2.168 ( 7.473 -0.261 -2.343) 7.836 2.430 ( 3.919 3.010 2.965) 5.763 2.464 ( 5.319 4.060 0.233) 6.696 2.539 ( 3.077 2.910 4.402) 6.108 2.620 ( 2.616 -3.233 0.186) 4.163 2.744 ( 2.014 2.517 3.500) 4.758 2.831 ( 12.068 -3.440 2.494) 12.794 2.931 ( -0.028 -0.814 -1.222) 1.469 2.946 ( 2.105 -2.014 -0.871) 3.041 3.054 ( -0.961 5.109 -0.343) 5.210 3.062 ( 0.637 4.914 -0.723) 5.008 3.109 ( -5.392 0.306 4.487) 7.021 3.196 ( 2.080 0.573 0.669) 2.259 3.233 ( 3.705 0.084 -1.254) 3.913 3.303 ( -1.901 -0.707 3.328) 3.897 3.457 ( -1.816 -0.884 -7.456) 7.725 3.492 ( -6.638 -6.687 -4.184) 10.309 3.620 ( 13.035 -1.529 -1.559) 13.216 3.645 ( 12.674 -3.176 -2.931) 13.391 3.855 ( 4.244 -0.012 5.394) 6.864 3.913 ( 3.505 0.214 2.332) 4.215 6.217 ( 0.291 0.718 -2.219) 2.350 6.234 ( 2.889 0.340 -2.439) 3.796 6.380 ( 1.567 0.671 5.800) 6.046 6.541 ( -0.511 0.998 -0.387) 1.186 6.663 ( 0.347 0.268 1.423) 1.489 6.780 ( 2.758 1.293 3.493) 4.634 6.843 ( -0.563 -0.406 -3.868) 3.930 6.895 ( 2.538 0.539 -1.346) 2.923 7.140 ( -2.225 3.030 2.200) 4.356 7.224 ( -1.475 -0.397 0.140) 1.534 7.248 ( -3.003 -0.842 -1.403) 3.420 7.282 ( -6.517 -1.488 -1.778) 6.917 7.420 ( 8.588 0.385 0.137) 8.598 7.447 ( 0.951 -0.734 -1.155) 1.666 7.654 ( 6.407 0.243 1.395) 6.562 7.768 ( 3.506 -0.984 -3.871) 5.314 8.480 ( -5.418 3.282 8.922) 10.942 8.515 ( -4.054 1.983 9.924) 10.902 8.905 ( -0.396 0.093 -9.318) 9.327 8.987 ( -4.071 1.577 -12.755) 13.481 9.421 ( -2.390 1.035 5.290) 5.896 9.469 ( -2.905 -2.887 1.955) 4.538 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.146 -0.198 0.545) 4.186 1.851 ( 1.117 -0.239 -0.204) 1.160 1.972 ( 6.219 0.060 -2.526) 6.713 2.074 ( 4.748 -0.088 -9.096) 10.261 2.275 ( 7.614 1.937 1.309) 7.965 2.313 ( 6.792 0.230 -1.723) 7.011 2.464 ( 1.794 6.689 1.069) 7.008 2.498 ( 1.663 4.302 0.782) 4.678 2.600 ( 3.305 0.273 3.109) 4.546 2.651 ( -0.598 -2.035 -0.282) 2.139 2.779 ( 2.624 1.957 3.962) 5.139 2.889 ( -5.494 1.963 -0.717) 5.878 2.896 ( -3.422 2.403 0.133) 4.183 2.934 ( -4.628 3.186 -1.089) 5.723 2.998 ( -2.491 0.842 0.826) 2.756 3.015 ( -0.055 -0.062 1.952) 1.954 3.050 ( 1.226 -1.001 3.921) 4.229 3.186 ( -0.483 -3.643 2.508) 4.449 3.294 ( 2.129 -2.085 2.918) 4.171 3.307 ( 1.467 1.303 -4.835) 5.218 3.458 ( -0.226 -4.358 -4.381) 6.184 3.465 ( -0.942 -5.633 -6.816) 8.893 3.757 ( 2.064 0.730 4.786) 5.263 3.857 ( 4.928 3.487 -1.205) 6.156 4.015 ( 11.352 -2.444 2.838) 11.954 4.092 ( 12.991 -4.723 -0.902) 13.853 6.184 ( -1.846 1.589 -0.554) 2.498 6.259 ( 0.246 2.538 -4.794) 5.430 6.459 ( 5.195 0.672 6.114) 8.051 6.557 ( 2.178 0.276 5.229) 5.671 6.703 ( 3.864 0.160 -2.468) 4.587 6.783 ( -0.530 1.568 -0.896) 1.882 6.829 ( -1.810 -1.217 0.954) 2.380 6.918 ( 0.361 0.234 -3.326) 3.353 7.129 ( 2.389 2.197 0.167) 3.250 7.155 ( -3.516 0.657 -1.097) 3.741 7.212 ( -2.151 -1.432 -0.134) 2.587 7.220 ( -1.755 -1.984 -0.399) 2.679 7.429 ( -2.588 0.005 2.005) 3.274 7.514 ( 1.727 0.304 -1.294) 2.180 7.750 ( 3.030 1.523 -1.471) 3.696 7.814 ( 1.499 -2.359 -2.819) 3.970 8.348 ( -5.703 4.270 10.681) 12.840 8.429 ( -3.944 0.777 11.879) 12.541 8.889 ( -1.381 0.182 -13.413) 13.485 8.920 ( -1.936 1.456 -12.864) 13.090 9.373 ( -2.052 0.271 6.525) 6.845 9.435 ( -2.069 -1.768 2.403) 3.630 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.351 0.063 0.570) 0.672 1.872 ( 0.606 -0.448 -0.585) 0.954 2.080 ( 3.434 0.813 -3.563) 5.015 2.134 ( 1.919 -1.000 -5.788) 6.179 2.335 ( -0.596 4.641 2.295) 5.211 2.405 ( 2.559 0.249 -2.511) 3.594 2.438 ( -0.436 2.429 0.393) 2.499 2.486 ( -0.816 3.050 -0.977) 3.305 2.624 ( -2.034 -1.104 1.163) 2.590 2.643 ( -0.250 -0.983 0.675) 1.219 2.755 ( -3.230 2.395 0.220) 4.028 2.805 ( -0.863 0.289 -0.416) 1.001 2.860 ( 0.503 -0.002 0.622) 0.800 2.875 ( -0.802 0.002 0.136) 0.813 2.951 ( -0.991 -0.174 5.131) 5.229 2.996 ( -1.040 -0.718 5.415) 5.561 3.084 ( 1.066 -0.297 -0.109) 1.112 3.224 ( 1.361 -1.664 0.484) 2.203 3.314 ( 0.018 -1.161 -3.034) 3.248 3.338 ( 1.367 0.611 -0.216) 1.513 3.474 ( -0.617 -6.007 -4.586) 7.583 3.497 ( 1.196 -2.591 -3.564) 4.566 3.766 ( 0.175 1.328 5.374) 5.538 3.876 ( 1.370 6.620 -0.684) 6.794 4.209 ( 6.124 -1.638 2.724) 6.900 4.318 ( 6.862 -3.175 -2.066) 7.838 6.148 ( -1.154 0.619 -0.236) 1.330 6.231 ( -1.310 1.924 -5.078) 5.586 6.524 ( 1.279 -0.335 7.872) 7.983 6.589 ( 0.249 -0.439 6.778) 6.796 6.766 ( -1.078 0.652 -0.190) 1.274 6.774 ( 1.617 -0.192 -3.440) 3.805 6.823 ( 3.521 0.165 -1.396) 3.791 6.920 ( -0.484 -0.029 -6.483) 6.501 7.098 ( -2.342 0.532 0.103) 2.403 7.117 ( -2.799 0.552 -0.466) 2.891 7.213 ( 2.722 0.072 1.579) 3.147 7.249 ( 2.310 -0.944 -0.704) 2.593 7.363 ( -3.441 0.095 3.329) 4.789 7.513 ( -0.825 0.238 -2.648) 2.784 7.737 ( -1.842 0.821 -1.198) 2.345 7.878 ( 2.975 -1.165 -6.332) 7.092 8.232 ( -4.388 1.892 14.214) 14.996 8.370 ( -1.537 0.355 13.615) 13.707 8.857 ( -1.381 0.223 -16.830) 16.888 8.895 ( -0.433 0.518 -12.233) 12.252 9.345 ( -0.769 -0.086 7.491) 7.531 9.415 ( -0.505 -0.681 2.726) 2.855 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.350 -0.006 0.918) 0.982 1.881 ( 0.091 0.299 -0.739) 0.802 2.073 ( -3.399 0.039 -2.299) 4.104 2.149 ( -1.426 0.633 -5.137) 5.369 2.270 ( -2.742 -0.598 2.683) 3.883 2.390 ( -5.195 -1.919 -1.418) 5.717 2.408 ( -1.881 0.139 -1.415) 2.358 2.441 ( -3.338 -0.629 -3.152) 4.634 2.586 ( -2.739 -3.671 1.062) 4.702 2.620 ( -2.436 -2.983 -0.304) 3.863 2.720 ( -0.390 -0.566 3.128) 3.202 2.821 ( 1.451 1.286 -0.462) 1.993 2.862 ( -0.614 -0.099 0.322) 0.700 2.872 ( 1.398 -0.284 -0.207) 1.442 2.972 ( 3.000 1.708 4.802) 5.914 3.008 ( 2.051 0.402 4.658) 5.106 3.101 ( 0.790 1.039 -0.176) 1.316 3.233 ( -0.733 -0.144 -0.528) 0.915 3.313 ( -0.982 -1.450 -2.576) 3.115 3.347 ( 0.175 1.107 -0.052) 1.122 3.497 ( 0.323 -2.473 -2.980) 3.886 3.535 ( 1.394 -2.063 -3.867) 4.599 3.763 ( 0.205 0.331 4.985) 5.000 3.856 ( 0.578 6.557 -0.492) 6.600 4.243 ( -2.869 1.177 2.920) 4.259 4.362 ( -3.266 0.599 -2.308) 4.044 6.134 ( -0.315 -0.595 -0.483) 0.829 6.201 ( -1.219 -0.568 -4.601) 4.793 6.515 ( -2.736 -1.000 8.679) 9.154 6.562 ( -2.979 -2.567 5.188) 6.510 6.742 ( -0.388 -0.440 -1.983) 2.068 6.812 ( -5.312 0.075 -3.516) 6.371 6.824 ( 2.927 1.970 0.134) 3.531 6.928 ( 1.283 0.782 -5.951) 6.138 7.082 ( 0.919 -0.869 -0.005) 1.265 7.097 ( 0.264 -1.133 -0.557) 1.290 7.218 ( -1.322 0.632 3.839) 4.110 7.280 ( 0.266 1.642 -0.663) 1.790 7.355 ( 2.807 -0.732 1.400) 3.221 7.504 ( 0.083 -0.532 -3.763) 3.801 7.718 ( 0.061 -0.777 0.024) 0.779 7.909 ( -0.009 1.488 -7.432) 7.579 8.175 ( -1.379 -2.765 15.070) 15.384 8.373 ( 2.031 0.552 14.370) 14.523 8.841 ( -0.456 -1.060 -18.186) 18.222 8.893 ( 0.397 0.307 -11.624) 11.634 9.345 ( 0.774 -0.074 8.128) 8.165 9.427 ( 1.723 0.366 2.417) 2.991 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -3.216 0.388 1.088) 3.418 1.855 ( -2.458 -0.005 0.331) 2.480 1.978 ( -5.102 0.631 -2.367) 5.660 2.065 ( -7.718 -1.157 -5.754) 9.696 2.226 ( -4.806 -1.863 1.846) 5.475 2.291 ( -5.130 -4.795 -1.330) 7.147 2.332 ( -5.294 -1.141 -1.068) 5.520 2.396 ( -2.848 -4.201 -1.737) 5.365 2.566 ( -3.377 -5.615 1.057) 6.638 2.586 ( -2.074 -3.894 2.315) 4.982 2.737 ( 0.501 -2.963 1.396) 3.314 2.825 ( -0.285 0.087 1.723) 1.749 2.859 ( 2.074 0.159 0.672) 2.186 2.935 ( 3.606 0.573 -3.129) 4.809 3.016 ( 1.651 0.816 2.026) 2.738 3.047 ( 1.422 2.349 1.737) 3.250 3.090 ( -0.340 2.367 1.972) 3.100 3.214 ( -1.041 -0.053 0.712) 1.262 3.285 ( -2.673 -0.446 -2.773) 3.877 3.340 ( 0.198 1.442 1.627) 2.183 3.504 ( -0.165 0.830 -3.730) 3.825 3.565 ( 1.075 0.138 -4.509) 4.637 3.772 ( 0.492 -0.267 4.265) 4.302 3.831 ( 0.004 4.639 0.309) 4.649 4.092 ( -11.076 3.733 2.572) 11.967 4.191 ( -12.781 3.928 -1.764) 13.487 6.146 ( 1.151 -1.405 -0.920) 2.036 6.196 ( -0.142 -2.557 -3.921) 4.684 6.434 ( -5.501 -1.593 6.670) 8.791 6.530 ( -2.161 -1.985 3.838) 4.831 6.697 ( -4.893 -0.440 -1.861) 5.253 6.752 ( 0.306 -0.957 -1.173) 1.545 6.856 ( 0.936 1.069 -0.344) 1.462 6.918 ( -1.595 0.337 -3.018) 3.431 7.079 ( -2.379 -2.109 1.110) 3.367 7.129 ( 2.532 -1.645 -1.094) 3.211 7.245 ( 4.240 1.240 1.405) 4.636 7.274 ( 1.312 2.675 -0.680) 3.056 7.417 ( 2.290 -1.085 0.000) 2.534 7.505 ( -1.289 -0.564 -1.940) 2.396 7.717 ( -2.034 -1.386 -0.183) 2.468 7.876 ( -1.482 3.097 -3.894) 5.191 8.206 ( 1.307 -7.243 12.108) 14.170 8.430 ( 3.966 0.500 13.004) 13.604 8.857 ( 1.227 -2.559 -18.702) 18.916 8.901 ( 0.356 -0.017 -9.999) 10.006 9.374 ( 2.147 0.197 8.491) 8.761 9.472 ( 3.294 1.427 1.572) 3.919 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -11.343 1.380 3.226) 11.873 1.817 ( -4.548 -1.179 -0.312) 4.708 1.861 ( -11.736 -1.688 -3.192) 12.279 1.888 ( -5.843 0.319 -2.878) 6.521 2.124 ( -5.570 -1.263 -1.642) 5.943 2.188 ( -5.660 1.753 -5.477) 8.069 2.298 ( -2.407 -7.198 1.868) 7.817 2.351 ( -4.953 -5.156 -0.610) 7.176 2.503 ( -4.243 -2.115 5.318) 7.125 2.598 ( -1.530 -7.547 1.295) 7.809 2.705 ( -3.839 1.494 2.286) 4.711 2.869 ( 0.332 -7.504 0.481) 7.527 2.896 ( -2.750 0.638 2.213) 3.587 2.940 ( -2.731 0.675 -1.297) 3.098 3.001 ( -2.829 2.254 -1.117) 3.786 3.018 ( 2.200 0.563 -2.507) 3.382 3.130 ( 3.736 1.962 2.802) 5.065 3.188 ( -1.933 -0.142 1.767) 2.623 3.230 ( -2.657 0.902 -2.345) 3.657 3.347 ( 1.336 1.815 3.444) 4.115 3.483 ( -1.647 1.116 -6.764) 7.050 3.576 ( 0.085 1.289 -4.386) 4.572 3.726 ( -8.213 4.477 1.183) 9.429 3.750 ( -9.345 6.329 -1.092) 11.339 3.866 ( -4.805 1.599 4.205) 6.583 3.917 ( -8.371 1.208 1.381) 8.570 6.190 ( 1.839 -1.536 -1.812) 3.004 6.218 ( 1.150 -0.998 -2.700) 3.100 6.354 ( -3.013 -1.625 5.415) 6.407 6.497 ( -1.952 -2.875 -0.535) 3.516 6.654 ( -0.001 -0.421 2.455) 2.491 6.748 ( -1.781 -1.175 1.871) 2.837 6.847 ( -2.564 -0.162 -2.883) 3.862 6.880 ( -0.678 -0.502 -2.443) 2.585 7.075 ( 0.250 -2.327 3.036) 3.833 7.185 ( 1.215 -2.818 -1.729) 3.522 7.297 ( 2.293 2.523 -0.752) 3.492 7.329 ( 4.553 2.291 -0.990) 5.193 7.401 ( -6.066 -1.328 1.077) 6.303 7.467 ( -0.735 0.709 -1.510) 1.823 7.645 ( -5.407 -0.435 2.023) 5.790 7.805 ( -5.261 2.103 -5.091) 7.617 8.304 ( 4.051 -9.925 11.626) 15.814 8.509 ( 4.233 0.249 9.806) 10.684 8.902 ( 0.466 -0.245 -9.384) 9.399 8.920 ( 2.788 -3.903 -16.418) 17.104 9.422 ( 3.024 0.645 8.466) 9.013 9.530 ( 3.841 2.455 0.794) 4.627 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -13.720 3.123 7.139) 15.778 1.534 ( -19.123 -1.102 1.197) 19.192 1.722 ( -10.473 1.350 -4.252) 11.384 1.787 ( -3.724 0.709 -4.256) 5.699 2.038 ( -4.348 -2.152 -3.601) 6.042 2.088 ( -4.160 1.725 -6.502) 7.909 2.267 ( -6.025 -4.990 2.797) 8.308 2.284 ( -3.212 -5.153 0.794) 6.124 2.429 ( -5.069 -1.205 6.974) 8.706 2.562 ( -8.435 2.643 -0.890) 8.884 2.610 ( -4.508 -5.241 4.667) 8.341 2.673 ( -12.434 5.509 3.050) 13.938 2.819 ( -9.248 -3.689 -1.154) 10.023 2.878 ( -8.136 2.988 -3.693) 9.421 2.932 ( -6.060 -1.764 1.971) 6.612 3.049 ( -3.737 -2.477 -0.763) 4.548 3.073 ( -8.667 0.800 0.244) 8.707 3.122 ( -7.096 2.616 -2.613) 8.002 3.205 ( 1.867 1.493 1.829) 3.010 3.309 ( -3.157 4.180 2.225) 5.691 3.421 ( -0.855 -0.567 -6.550) 6.630 3.495 ( -1.377 1.296 -5.457) 5.775 3.607 ( 2.698 -0.396 0.877) 2.864 3.676 ( 4.080 0.067 -1.179) 4.247 3.838 ( 0.379 1.276 4.166) 4.374 3.872 ( -0.028 -0.027 2.708) 2.709 6.200 ( -0.534 0.838 -1.186) 1.547 6.228 ( -0.285 2.337 -1.867) 3.005 6.378 ( 3.776 -3.196 3.555) 6.092 6.512 ( 0.955 -4.503 -2.623) 5.298 6.667 ( -0.582 -0.480 3.604) 3.682 6.704 ( -3.043 0.188 3.694) 4.790 6.770 ( -4.814 -0.767 -1.436) 5.081 6.891 ( -0.015 0.844 -3.990) 4.079 7.058 ( -6.137 -5.433 0.955) 8.252 7.085 ( -14.121 -3.112 0.127) 14.460 7.245 ( -1.647 -2.620 1.432) 3.410 7.382 ( 3.427 2.452 0.745) 4.279 7.422 ( 2.138 2.851 -1.095) 3.728 7.448 ( -0.175 0.873 -6.440) 6.501 7.539 ( -3.917 1.322 1.980) 4.584 7.672 ( -6.065 -0.538 -2.906) 6.747 8.453 ( 5.676 -8.762 10.843) 15.052 8.581 ( 3.220 -0.121 6.984) 7.692 8.909 ( 0.460 -0.177 -6.032) 6.052 9.021 ( 5.003 -4.747 -15.279) 16.763 9.480 ( 3.670 1.514 8.121) 9.039 9.590 ( 4.121 3.266 0.365) 5.271 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -17.075 3.171 11.150) 20.638 1.153 ( -17.829 5.465 6.856) 19.868 1.474 ( -12.741 4.890 -6.738) 15.220 1.682 ( -7.460 2.599 -9.368) 12.254 1.945 ( -11.812 0.713 -1.486) 11.926 1.997 ( -5.260 -3.019 -3.312) 6.910 2.083 ( -19.100 11.370 6.454) 23.146 2.203 ( -2.943 -4.004 4.642) 6.800 2.270 ( -9.569 1.503 7.002) 11.952 2.352 ( -4.012 -3.642 0.510) 5.442 2.446 ( -12.816 1.733 -2.686) 13.209 2.570 ( -4.169 -5.651 1.054) 7.101 2.606 ( -11.311 -2.206 -0.802) 11.552 2.663 ( -11.635 4.810 -10.013) 16.086 2.688 ( -12.259 -0.889 2.251) 12.496 2.824 ( -11.555 0.318 -2.700) 11.870 3.014 ( -0.883 -2.809 2.400) 3.799 3.070 ( -0.579 0.797 0.527) 1.117 3.228 ( 1.507 0.565 1.272) 2.051 3.321 ( 3.221 1.466 -0.038) 3.539 3.441 ( 1.595 -0.399 -3.022) 3.440 3.520 ( 2.447 2.122 -5.927) 6.754 3.723 ( 5.701 -4.646 3.029) 7.953 3.788 ( 4.847 -1.238 2.861) 5.762 3.860 ( 2.322 -1.138 1.502) 2.991 3.890 ( 3.183 -0.202 0.366) 3.210 6.172 ( -7.538 0.108 -1.772) 7.744 6.176 ( -3.775 -0.157 -1.772) 4.173 6.417 ( -14.931 1.999 2.975) 15.355 6.441 ( -3.837 -4.727 0.834) 6.145 6.618 ( -2.678 -0.760 2.065) 3.466 6.627 ( 0.052 -0.736 1.194) 1.403 6.697 ( -1.655 1.230 -1.320) 2.449 6.824 ( -4.877 1.140 -3.947) 6.377 6.925 ( -2.214 -5.199 -0.695) 5.693 6.995 ( -5.470 -8.613 -3.453) 10.772 7.216 ( -2.141 -1.421 -0.406) 2.601 7.338 ( -8.175 -0.315 -0.080) 8.181 7.393 ( -4.332 0.663 0.394) 4.400 7.422 ( 2.336 5.414 -4.726) 7.557 7.523 ( 2.393 2.718 0.621) 3.674 7.684 ( 5.323 -0.123 -3.995) 6.656 8.613 ( 6.632 -6.220 11.683) 14.804 8.633 ( 2.497 -1.090 6.494) 7.042 8.927 ( 1.376 -0.223 -3.544) 3.808 9.161 ( 6.553 -5.403 -11.663) 14.427 9.544 ( 4.386 3.019 7.351) 9.077 9.651 ( 4.061 3.610 0.321) 5.443 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -17.683 8.145 11.109) 22.415 0.840 ( -12.342 10.214 18.441) 24.428 1.215 ( -10.847 8.607 -9.238) 16.646 1.352 ( -27.536 18.593 14.729) 36.344 1.443 ( -15.038 7.176 -10.666) 19.784 1.882 ( -6.282 0.758 5.234) 8.212 1.947 ( -3.538 -6.638 -4.102) 8.568 2.082 ( -6.847 -0.067 3.042) 7.493 2.168 ( -7.379 -2.754 -4.645) 9.144 2.246 ( -1.387 -3.244 4.110) 5.417 2.347 ( -0.041 -0.266 -2.495) 2.509 2.420 ( -7.399 -0.342 -2.300) 7.756 2.463 ( -6.941 3.488 -9.052) 11.929 2.530 ( -2.451 -3.627 -0.749) 4.441 2.560 ( -2.841 -0.716 0.610) 2.993 2.651 ( -7.414 -1.809 -2.891) 8.161 3.010 ( -0.109 -0.061 6.816) 6.817 3.089 ( 1.126 -4.224 0.278) 4.380 3.255 ( 1.442 0.348 0.982) 1.779 3.371 ( 2.429 0.557 -0.319) 2.512 3.471 ( 1.407 0.365 -1.769) 2.289 3.550 ( 2.565 3.372 -5.165) 6.680 3.799 ( 2.015 0.670 7.321) 7.623 3.887 ( 4.413 -3.423 2.423) 6.087 3.904 ( 3.364 1.269 1.720) 3.985 4.014 ( 4.844 -6.826 -2.534) 8.745 5.728 ( -27.706 0.297 0.956) 27.724 5.937 ( -31.626 -11.017 -12.123) 35.617 6.326 ( 2.926 2.768 1.192) 4.201 6.356 ( -1.007 -2.933 0.199) 3.107 6.551 ( -5.043 0.770 -0.091) 5.103 6.627 ( -1.374 0.105 1.621) 2.128 6.717 ( 1.501 4.273 -4.000) 6.043 6.748 ( -2.321 3.556 -10.522) 11.346 6.880 ( -1.783 -2.330 1.748) 3.415 7.015 ( 2.590 -3.742 -0.614) 4.592 7.167 ( -6.670 0.262 0.882) 6.733 7.228 ( -1.438 -5.021 0.184) 5.226 7.262 ( -6.354 2.834 -0.087) 6.957 7.444 ( 2.459 6.087 -8.541) 10.772 7.569 ( 2.526 1.130 4.646) 5.408 7.776 ( 3.774 0.940 -4.573) 6.004 8.660 ( 0.967 -0.494 5.204) 5.316 8.820 ( 8.243 -8.940 8.573) 14.879 8.981 ( 5.289 -3.052 5.922) 8.507 9.313 ( 5.454 -6.003 -6.706) 10.524 9.609 ( 4.411 4.978 5.393) 8.562 9.702 ( 3.448 3.359 0.754) 4.873 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -0.000 15.138 16.579) 22.450 0.548 ( -0.000 17.542 18.540) 25.524 0.891 ( -0.000 15.513 31.972) 35.537 1.114 ( -0.000 9.196 -6.974) 11.541 1.215 ( -0.000 5.578 -15.269) 16.256 1.800 ( -0.000 0.686 8.639) 8.666 1.965 ( 0.000 -7.845 -7.925) 11.151 2.051 ( 0.000 -3.231 2.911) 4.349 2.057 ( 0.000 -0.014 -4.929) 4.929 2.283 ( 0.000 -1.449 2.741) 3.100 2.324 ( -0.000 5.222 -9.778) 11.085 2.365 ( 0.000 -1.533 -1.294) 2.006 2.375 ( 0.000 -0.256 -3.571) 3.580 2.536 ( 0.000 -0.543 0.472) 0.719 2.559 ( 0.000 -3.277 -3.866) 5.068 2.559 ( 0.000 -1.602 -0.530) 1.687 3.012 ( -0.000 0.125 10.072) 10.073 3.131 ( 0.000 -4.496 -0.243) 4.502 3.270 ( 0.000 -0.144 0.346) 0.375 3.401 ( 0.000 -0.717 -0.209) 0.747 3.483 ( -0.000 0.537 -2.026) 2.096 3.569 ( -0.000 4.252 -6.321) 7.618 3.840 ( 0.000 -2.851 8.046) 8.537 3.962 ( -0.000 0.851 0.109) 0.858 3.965 ( 0.000 -1.500 1.423) 2.068 4.100 ( 0.000 -5.581 -2.705) 6.202 5.359 ( -0.000 1.866 1.157) 2.196 5.412 ( -0.000 1.734 -1.140) 2.075 6.380 ( 0.000 -5.722 1.237) 5.854 6.397 ( -0.000 3.577 3.866) 5.267 6.466 ( 0.000 -1.809 -3.309) 3.771 6.604 ( -0.000 17.583 -13.181) 21.975 6.612 ( 0.000 -1.010 3.767) 3.900 6.721 ( -0.000 3.482 -1.864) 3.950 6.923 ( 0.000 -1.244 4.675) 4.838 7.069 ( 0.000 -2.484 0.031) 2.484 7.075 ( 0.000 -0.115 1.905) 1.909 7.158 ( -0.000 1.458 -1.737) 2.268 7.263 ( 0.000 -5.352 0.203) 5.355 7.434 ( -0.000 6.185 -7.699) 9.875 7.592 ( -0.000 0.390 5.994) 6.006 7.807 ( -0.000 0.981 -4.681) 4.783 8.672 ( 0.000 -0.383 5.361) 5.374 8.913 ( 0.000 -2.791 -5.343) 6.028 9.181 ( 0.000 -19.918 12.618) 23.579 9.404 ( 0.000 -5.343 -2.955) 6.106 9.629 ( -0.000 6.485 2.442) 6.929 9.741 ( -0.000 1.763 -0.737) 1.911 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 12.961 0.000 2.697) 13.239 1.827 ( 1.765 0.000 -1.444) 2.281 1.879 ( 5.036 0.000 -1.596) 5.283 1.921 ( 13.286 0.000 -6.984) 15.009 2.133 ( 6.695 0.000 -3.085) 7.372 2.167 ( 7.678 0.000 -1.977) 7.929 2.445 ( 4.200 0.000 4.373) 6.064 2.488 ( 5.968 0.000 0.377) 5.980 2.571 ( 1.942 0.000 1.132) 2.247 2.587 ( 2.439 0.000 2.607) 3.571 2.758 ( 1.426 0.000 2.270) 2.681 2.809 ( 13.378 0.000 2.853) 13.679 2.927 ( -1.708 -0.000 -0.112) 1.712 2.931 ( 3.818 0.000 -1.248) 4.017 3.079 ( -2.341 -0.000 -0.359) 2.368 3.093 ( 3.045 0.000 0.463) 3.080 3.119 ( -2.377 -0.000 3.502) 4.232 3.201 ( 3.278 0.000 0.461) 3.310 3.226 ( -1.111 -0.000 1.121) 1.578 3.309 ( 0.628 0.000 0.801) 1.018 3.442 ( -9.708 -0.000 -2.817) 10.108 3.453 ( -2.322 -0.000 -7.525) 7.875 3.617 ( 15.284 0.000 -2.582) 15.501 3.623 ( 11.119 0.000 -3.495) 11.655 3.855 ( 4.167 0.000 5.528) 6.923 3.914 ( 3.076 0.000 2.406) 3.905 6.221 ( 0.839 0.000 -2.307) 2.455 6.236 ( 3.567 0.000 -2.367) 4.281 6.384 ( 1.259 0.000 5.835) 5.969 6.546 ( -0.874 -0.000 -0.340) 0.938 6.665 ( 0.388 0.000 1.268) 1.326 6.788 ( 3.183 0.000 4.097) 5.188 6.840 ( -1.241 -0.000 -4.298) 4.473 6.898 ( 2.746 0.000 -1.228) 3.009 7.162 ( -3.376 -0.000 2.074) 3.962 7.214 ( -1.091 -0.000 0.609) 1.250 7.247 ( -2.014 -0.000 -0.818) 2.174 7.274 ( -7.747 -0.000 -2.800) 8.237 7.422 ( 9.010 0.000 -0.065) 9.011 7.443 ( 1.016 0.000 -1.134) 1.522 7.655 ( 6.562 0.000 1.329) 6.695 7.762 ( 3.271 0.000 -3.653) 4.903 8.492 ( -5.363 -0.000 9.125) 10.584 8.533 ( -4.369 -0.000 9.305) 10.279 8.906 ( -0.420 -0.000 -9.531) 9.540 8.996 ( -4.202 -0.000 -11.684) 12.417 9.440 ( -3.769 -0.000 3.107) 4.885 9.440 ( -1.240 -0.000 3.589) 3.797 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 4.324 -0.070 0.414) 4.344 1.849 ( 0.824 -0.103 -0.278) 0.876 1.973 ( 6.713 0.063 -2.595) 7.197 2.073 ( 4.020 -0.086 -9.716) 10.515 2.290 ( 8.082 0.736 0.804) 8.155 2.315 ( 6.868 0.125 -1.061) 6.950 2.519 ( 3.471 2.415 2.181) 4.758 2.544 ( 0.933 4.226 0.801) 4.401 2.602 ( 1.557 -0.056 1.401) 2.095 2.616 ( -0.676 -3.434 0.738) 3.577 2.789 ( 2.297 0.166 3.598) 4.272 2.890 ( -1.893 -0.207 -0.311) 1.929 2.933 ( -4.132 2.467 -0.011) 4.813 2.951 ( -3.047 -0.348 -0.529) 3.112 3.021 ( -3.840 1.477 3.716) 5.544 3.034 ( -5.719 1.896 0.523) 6.048 3.055 ( 1.031 4.276 3.433) 5.580 3.128 ( -1.971 -6.750 2.338) 7.410 3.273 ( 3.931 -1.228 3.319) 5.289 3.331 ( 0.779 3.029 -5.565) 6.384 3.381 ( -1.020 -6.058 -6.715) 9.101 3.445 ( 1.182 -0.738 -4.831) 5.028 3.766 ( 2.927 0.620 5.023) 5.847 3.888 ( 8.734 1.607 -2.435) 9.209 4.003 ( 9.276 0.340 2.585) 9.636 4.045 ( 12.813 -3.342 -0.094) 13.243 6.197 ( -2.140 0.640 -0.523) 2.294 6.279 ( 0.558 1.018 -5.144) 5.274 6.464 ( 5.096 0.270 5.603) 7.579 6.557 ( 1.787 -0.113 6.043) 6.303 6.704 ( 3.660 0.070 -2.406) 4.381 6.799 ( -1.079 1.178 -1.245) 2.025 6.817 ( -1.358 -1.007 1.625) 2.345 6.920 ( -0.032 0.124 -3.562) 3.564 7.149 ( 2.169 1.218 -0.243) 2.500 7.160 ( -3.699 0.163 -0.887) 3.807 7.198 ( -0.234 -0.904 -0.239) 0.964 7.204 ( -2.947 -0.731 -0.377) 3.059 7.428 ( -2.419 -0.076 2.364) 3.383 7.516 ( 1.624 0.125 -1.430) 2.167 7.766 ( 4.375 1.250 -1.489) 4.787 7.792 ( 0.425 -1.536 -2.575) 3.028 8.376 ( -6.408 0.982 11.340) 13.062 8.441 ( -4.482 0.922 10.502) 11.456 8.890 ( -1.307 0.015 -12.947) 13.013 8.931 ( -2.366 0.543 -12.432) 12.667 9.377 ( -2.453 0.365 5.403) 5.945 9.418 ( -1.317 -0.945 3.037) 3.443 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.291 0.068 0.426) 0.520 1.867 ( 0.935 -0.296 -0.485) 1.094 2.091 ( 3.227 1.227 -4.479) 5.655 2.121 ( 2.269 -1.308 -5.782) 6.348 2.379 ( 1.150 2.884 1.065) 3.282 2.409 ( 2.670 0.259 -1.770) 3.214 2.475 ( -4.659 4.276 1.207) 6.438 2.518 ( -2.647 2.584 0.762) 3.777 2.604 ( -2.763 -2.222 1.069) 3.703 2.619 ( -0.990 -3.170 0.573) 3.370 2.780 ( -4.978 1.937 -0.588) 5.374 2.811 ( -2.306 0.553 -0.819) 2.508 2.862 ( -0.463 0.260 0.421) 0.677 2.874 ( -0.547 -0.308 0.119) 0.639 2.953 ( -0.516 0.400 5.846) 5.882 2.988 ( -0.166 -0.624 5.565) 5.602 3.086 ( 1.849 0.686 0.490) 2.032 3.195 ( 2.681 -3.225 0.556) 4.230 3.313 ( 0.054 1.055 -3.593) 3.745 3.342 ( 1.394 0.148 0.201) 1.416 3.401 ( 0.038 -6.006 -6.598) 8.922 3.479 ( 1.591 -1.010 -2.609) 3.218 3.784 ( 0.262 1.493 6.709) 6.878 3.945 ( 1.895 5.279 -1.847) 5.905 4.193 ( 7.369 -1.084 2.249) 7.780 4.282 ( 8.396 -2.968 -1.681) 9.063 6.154 ( -1.833 0.391 -0.139) 1.880 6.251 ( -2.195 1.509 -5.809) 6.391 6.518 ( 0.356 -0.568 6.704) 6.737 6.579 ( -0.826 -0.960 8.813) 8.903 6.763 ( -1.904 -0.172 -2.792) 3.384 6.786 ( 3.586 1.107 -0.930) 3.867 6.823 ( 3.116 -0.018 -1.190) 3.336 6.921 ( 0.034 0.093 -6.946) 6.947 7.102 ( -2.608 0.301 0.320) 2.644 7.121 ( -3.627 0.136 -0.465) 3.659 7.214 ( 2.672 0.082 0.977) 2.847 7.242 ( 3.744 -0.322 -0.799) 3.842 7.364 ( -3.741 -0.013 4.014) 5.487 7.515 ( -0.932 0.069 -2.183) 2.374 7.745 ( -2.566 0.515 -1.531) 3.032 7.868 ( 3.960 -0.670 -6.230) 7.413 8.247 ( -6.187 0.859 14.103) 15.424 8.375 ( -1.558 0.502 13.208) 13.309 8.858 ( -1.799 -0.028 -16.300) 16.399 8.901 ( -0.634 0.455 -12.418) 12.443 9.344 ( -0.889 -0.052 7.157) 7.212 9.408 ( 0.041 -0.486 2.905) 2.945 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.324 -0.002 1.048) 1.097 1.883 ( 0.287 0.144 -0.754) 0.819 2.074 ( -3.108 0.123 -2.279) 3.856 2.157 ( -1.162 0.599 -5.273) 5.432 2.276 ( -6.311 1.599 2.647) 7.028 2.369 ( -7.288 -1.857 -0.124) 7.522 2.411 ( -2.094 0.157 -1.747) 2.732 2.441 ( -4.134 0.688 -3.218) 5.284 2.546 ( -3.989 -3.253 1.171) 5.279 2.582 ( -3.888 -3.732 -0.744) 5.440 2.716 ( -1.098 -0.271 3.680) 3.850 2.834 ( 2.440 1.074 -0.969) 2.837 2.860 ( -0.944 -0.243 0.432) 1.067 2.868 ( 2.096 -0.307 -0.448) 2.166 2.990 ( 2.426 1.218 4.542) 5.291 3.013 ( 3.376 0.599 4.438) 5.608 3.114 ( 1.462 1.387 0.429) 2.061 3.229 ( -0.269 -0.750 -0.499) 0.940 3.300 ( -0.937 -0.843 -3.713) 3.921 3.356 ( 0.299 0.610 0.002) 0.679 3.452 ( 1.752 -4.809 -4.441) 6.776 3.517 ( 1.809 -1.127 -1.846) 2.820 3.774 ( -0.258 1.323 6.594) 6.730 3.932 ( 0.282 6.345 -1.931) 6.638 4.253 ( -1.532 0.680 2.634) 3.122 4.362 ( -1.435 -0.407 -2.157) 2.623 6.128 ( -0.727 -0.407 -0.588) 1.020 6.199 ( -2.436 0.028 -4.878) 5.453 6.504 ( -2.712 -0.877 7.903) 8.402 6.533 ( -3.512 -2.534 6.056) 7.445 6.740 ( -0.226 0.102 -2.115) 2.129 6.809 ( -5.516 -0.355 -2.522) 6.075 6.845 ( 2.577 1.517 -0.815) 3.100 6.939 ( 1.641 1.137 -6.217) 6.530 7.072 ( -0.472 -1.058 0.272) 1.190 7.086 ( -0.289 -0.763 -0.466) 0.940 7.226 ( -0.609 0.860 4.951) 5.062 7.297 ( 0.888 1.473 -0.374) 1.760 7.345 ( 2.817 -1.068 0.237) 3.022 7.499 ( -0.566 -0.419 -4.117) 4.176 7.711 ( -0.602 -0.531 0.570) 0.985 7.925 ( 1.612 1.203 -8.478) 8.713 8.148 ( -3.927 -2.100 15.890) 16.502 8.380 ( 2.079 0.535 14.567) 14.724 8.830 ( -1.149 -0.816 -18.597) 18.650 8.897 ( 0.282 0.315 -11.456) 11.464 9.344 ( 0.842 -0.124 8.330) 8.373 9.430 ( 2.189 0.166 2.329) 3.200 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -2.437 0.425 1.384) 2.835 1.853 ( -3.297 -0.201 0.738) 3.385 1.986 ( -5.077 0.921 -2.311) 5.654 2.049 ( -9.052 -1.725 -3.514) 9.862 2.210 ( -3.270 -1.097 1.106) 3.622 2.232 ( -6.424 -4.928 0.533) 8.114 2.337 ( -6.152 0.744 -3.921) 7.333 2.360 ( -3.211 -1.746 -2.060) 4.196 2.497 ( -4.010 -5.938 0.685) 7.198 2.540 ( -3.082 -4.979 -0.153) 5.858 2.711 ( 0.141 -1.466 4.758) 4.980 2.833 ( -1.505 0.957 1.584) 2.385 2.866 ( 1.929 0.756 -0.281) 2.090 2.940 ( 3.767 0.459 -3.098) 4.899 3.020 ( 1.343 0.003 2.896) 3.192 3.073 ( 1.512 2.054 0.706) 2.647 3.117 ( 0.716 2.475 1.996) 3.260 3.213 ( -1.086 -0.082 -0.033) 1.089 3.282 ( -1.572 -0.040 -2.905) 3.303 3.353 ( 0.160 0.900 1.011) 1.363 3.499 ( 0.785 -1.750 -4.291) 4.700 3.558 ( 1.782 -0.761 -2.067) 2.833 3.768 ( 0.172 -0.102 5.882) 5.886 3.894 ( -0.680 5.662 -1.414) 5.875 4.129 ( -10.113 2.945 2.474) 10.819 4.229 ( -11.521 2.914 -1.892) 12.033 6.135 ( 1.112 -0.668 -1.267) 1.813 6.172 ( -0.438 -1.758 -3.718) 4.136 6.415 ( -5.722 -1.730 6.781) 9.040 6.507 ( -1.949 -2.038 3.502) 4.496 6.691 ( -5.206 -0.517 -1.218) 5.371 6.745 ( 0.243 -0.365 -1.190) 1.268 6.866 ( 0.302 0.722 -1.224) 1.453 6.923 ( -2.451 0.635 -3.234) 4.108 7.058 ( -1.657 -1.529 1.567) 2.745 7.110 ( 1.854 -1.684 -0.810) 2.633 7.255 ( 4.175 0.654 2.790) 5.064 7.303 ( 1.437 2.531 -0.673) 2.987 7.404 ( 1.921 -1.132 -1.434) 2.651 7.497 ( -0.873 -1.062 -3.355) 3.626 7.704 ( -1.677 -0.949 1.239) 2.291 7.910 ( -1.435 3.012 -4.671) 5.740 8.131 ( -0.578 -6.149 13.405) 14.759 8.436 ( 3.861 0.494 13.159) 13.723 8.830 ( 0.424 -2.205 -19.814) 19.940 8.901 ( 0.208 0.108 -9.759) 9.762 9.376 ( 2.365 0.144 9.039) 9.344 9.485 ( 3.725 0.975 1.369) 4.086 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -10.453 1.544 3.552) 11.147 1.801 ( -7.480 -1.433 -0.494) 7.632 1.850 ( -8.145 -0.451 -1.671) 8.327 1.892 ( -5.572 0.331 -3.567) 6.625 2.104 ( -6.335 -2.411 -0.787) 6.824 2.210 ( -4.409 1.813 -6.544) 8.096 2.225 ( -2.317 -5.664 3.123) 6.870 2.302 ( -4.726 -3.403 -0.955) 5.901 2.452 ( -4.350 -7.384 2.296) 8.873 2.520 ( -2.370 -5.856 1.940) 6.608 2.716 ( -1.902 0.038 1.754) 2.588 2.808 ( -0.917 -2.995 2.678) 4.121 2.898 ( 1.018 -0.178 1.378) 1.722 2.950 ( -5.134 1.025 -2.381) 5.751 3.019 ( -1.704 0.906 -1.151) 2.247 3.030 ( -0.929 1.503 -0.694) 1.898 3.151 ( 2.277 1.647 1.553) 3.210 3.187 ( -1.712 -0.017 1.382) 2.200 3.249 ( -0.424 2.554 -2.237) 3.422 3.363 ( 1.383 1.086 2.118) 2.753 3.492 ( -1.941 0.532 -5.709) 6.053 3.586 ( 0.713 0.618 -2.882) 3.033 3.756 ( -4.148 1.283 3.302) 5.455 3.813 ( -9.626 4.867 -1.120) 10.844 3.894 ( -6.123 3.138 2.860) 7.451 3.941 ( -12.476 3.213 0.359) 12.888 6.173 ( 1.997 -1.413 -1.669) 2.961 6.207 ( 2.915 -0.980 -2.793) 4.154 6.335 ( -3.209 -1.826 5.112) 6.306 6.463 ( -3.322 -3.113 -0.513) 4.581 6.650 ( 0.244 -0.288 3.011) 3.035 6.738 ( -1.509 -0.726 1.303) 2.122 6.844 ( -4.120 -0.297 -2.164) 4.663 6.877 ( 0.400 -0.072 -3.302) 3.327 7.056 ( -0.095 -1.099 3.052) 3.245 7.152 ( 0.452 -3.139 -1.323) 3.436 7.323 ( 1.972 2.045 -0.793) 2.949 7.353 ( 4.731 2.037 -1.134) 5.274 7.385 ( -5.222 -1.361 1.083) 5.504 7.471 ( -0.653 -0.045 -2.013) 2.117 7.641 ( -4.834 -0.308 2.630) 5.512 7.827 ( -6.509 1.960 -5.701) 8.872 8.199 ( 3.744 -8.879 13.275) 16.404 8.512 ( 4.046 0.267 9.771) 10.579 8.875 ( 2.530 -3.757 -19.410) 19.932 8.903 ( 0.012 -0.118 -7.852) 7.853 9.429 ( 3.374 0.643 9.273) 9.889 9.554 ( 4.190 1.842 0.583) 4.614 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -12.932 2.953 6.425) 14.739 1.539 ( -15.302 2.202 0.916) 15.486 1.740 ( -8.412 1.827 -4.630) 9.774 1.793 ( -3.577 0.424 -3.298) 4.884 2.006 ( -5.433 -3.328 -2.541) 6.859 2.103 ( -5.220 0.666 -7.440) 9.113 2.213 ( -5.312 -4.738 2.837) 7.662 2.233 ( -2.026 -3.667 0.464) 4.215 2.412 ( -4.008 -3.029 5.046) 7.120 2.497 ( -4.282 -8.890 3.029) 10.322 2.623 ( -6.509 3.222 0.947) 7.325 2.730 ( -11.920 3.572 1.040) 12.487 2.780 ( -7.504 -2.283 2.138) 8.130 2.903 ( -8.165 0.261 -1.751) 8.355 2.913 ( -3.945 -0.629 1.291) 4.198 3.026 ( -2.898 -1.538 -0.358) 3.300 3.088 ( -10.584 2.014 0.461) 10.784 3.149 ( -3.272 2.115 -1.456) 4.159 3.231 ( -0.396 3.067 -0.192) 3.098 3.357 ( -3.019 4.397 2.362) 5.833 3.415 ( -1.972 -0.300 -7.904) 8.151 3.516 ( -2.749 2.532 -4.987) 6.232 3.604 ( -1.816 -0.035 1.047) 2.097 3.674 ( 0.870 -0.316 -0.882) 1.279 3.851 ( -0.083 1.080 3.628) 3.786 3.871 ( 0.733 -0.132 3.004) 3.095 6.202 ( -0.115 -0.682 -0.446) 0.823 6.251 ( 0.562 1.752 -2.163) 2.840 6.343 ( 3.047 -2.761 2.704) 4.921 6.457 ( 0.332 -5.378 -2.234) 5.833 6.663 ( -0.583 -0.206 3.389) 3.445 6.707 ( -1.607 0.216 3.597) 3.945 6.761 ( -4.358 -0.707 -1.238) 4.586 6.899 ( 1.013 0.535 -4.259) 4.410 7.006 ( -7.720 -3.874 1.492) 8.766 7.060 ( -15.620 -1.701 -1.227) 15.760 7.216 ( -2.608 -2.329 3.358) 4.848 7.403 ( 3.410 1.374 -0.611) 3.727 7.452 ( 3.119 2.428 -0.426) 3.975 7.459 ( -0.767 1.274 -5.082) 5.296 7.553 ( -1.886 1.033 1.633) 2.700 7.666 ( -7.737 -0.642 -2.137) 8.053 8.355 ( 6.821 -8.699 10.699) 15.384 8.579 ( 2.955 -0.164 6.586) 7.220 8.907 ( 0.429 -0.183 -5.885) 5.903 8.967 ( 4.621 -4.788 -17.021) 18.276 9.496 ( 4.264 1.393 9.070) 10.119 9.623 ( 4.361 2.658 0.239) 5.113 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -15.916 4.393 7.694) 18.216 1.241 ( -11.702 10.027 7.077) 16.957 1.534 ( -10.019 5.892 -7.007) 13.571 1.708 ( -5.569 1.942 -7.395) 9.459 1.922 ( -6.463 -3.696 -3.116) 8.071 1.983 ( -7.721 0.003 -5.033) 9.217 2.152 ( -3.024 -4.499 5.028) 7.394 2.179 ( -9.200 3.148 1.858) 9.900 2.287 ( -9.480 -0.592 6.823) 11.695 2.356 ( -12.827 7.067 2.413) 14.843 2.464 ( -12.039 -0.170 0.021) 12.041 2.503 ( -5.015 -3.780 2.477) 6.751 2.570 ( -12.877 -4.005 0.663) 13.501 2.681 ( -12.393 -0.073 1.926) 12.542 2.710 ( -10.630 2.754 -6.631) 12.828 2.835 ( -12.255 1.967 -3.006) 12.771 2.975 ( -1.448 -3.680 2.548) 4.704 3.092 ( -0.975 2.904 -2.504) 3.956 3.234 ( 1.315 0.463 1.078) 1.763 3.337 ( 2.311 1.498 -1.214) 3.010 3.437 ( 2.035 -0.275 -2.222) 3.026 3.537 ( 2.577 0.804 -5.343) 5.986 3.669 ( 4.654 -4.934 1.403) 6.926 3.749 ( 4.554 -5.656 -0.550) 7.282 3.856 ( 0.932 0.827 4.087) 4.272 3.899 ( 2.472 1.183 1.909) 3.340 6.166 ( -6.065 -1.153 -1.064) 6.265 6.176 ( -11.997 0.153 -1.266) 12.065 6.381 ( -5.729 -5.662 0.850) 8.100 6.429 ( -8.690 -1.009 -0.286) 8.753 6.607 ( -2.118 0.022 2.783) 3.497 6.637 ( -1.337 1.696 2.380) 3.214 6.707 ( -0.804 0.598 -0.608) 1.172 6.830 ( -4.185 -0.537 -1.696) 4.547 6.865 ( -5.726 -5.666 -3.092) 8.628 6.925 ( -0.601 -3.396 -1.607) 3.805 7.194 ( -1.769 -2.173 1.789) 3.324 7.345 ( -8.052 1.373 -1.090) 8.241 7.405 ( -3.743 1.508 1.275) 4.232 7.472 ( 2.444 3.569 -2.530) 5.011 7.549 ( 1.614 1.943 -0.456) 2.566 7.682 ( 6.338 -0.346 -3.429) 7.214 8.535 ( 7.266 -7.267 9.999) 14.338 8.626 ( 1.753 -0.590 4.987) 5.319 8.924 ( 1.282 -0.254 -3.736) 3.958 9.099 ( 5.948 -5.626 -13.442) 15.739 9.575 ( 5.074 2.483 8.364) 10.093 9.690 ( 4.208 3.366 0.387) 5.403 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -11.673 11.160 9.764) 18.872 0.985 ( -7.726 15.927 13.259) 22.117 1.322 ( -7.186 10.261 -10.094) 16.087 1.508 ( -13.414 8.601 -9.551) 18.578 1.596 ( -21.277 19.497 8.682) 30.137 1.863 ( -4.766 -4.321 -2.474) 6.892 1.915 ( -7.288 1.903 3.401) 8.264 2.078 ( -8.154 -0.301 6.044) 10.154 2.141 ( -5.021 -2.623 -2.427) 6.162 2.204 ( -3.612 -3.935 3.065) 6.158 2.321 ( -0.582 -3.685 -1.336) 3.963 2.385 ( -9.136 -4.587 4.319) 11.098 2.478 ( -2.592 -5.606 -0.651) 6.210 2.527 ( -4.647 4.769 -11.735) 13.492 2.553 ( -3.339 -0.282 -0.249) 3.360 2.635 ( -8.262 0.086 -3.810) 9.099 2.985 ( -0.210 -4.714 3.220) 5.713 3.068 ( -0.082 1.175 0.471) 1.269 3.262 ( 1.694 0.653 0.969) 2.057 3.376 ( 1.756 0.319 -2.013) 2.690 3.478 ( 2.034 0.654 -0.231) 2.149 3.577 ( 2.416 1.165 -3.908) 4.740 3.777 ( 2.891 -5.558 3.401) 7.128 3.860 ( 2.984 0.011 3.973) 4.969 3.896 ( 3.291 -6.969 -0.341) 7.714 3.954 ( 3.588 -0.173 -0.064) 3.593 5.734 ( -25.561 0.827 0.397) 25.578 5.835 ( -30.705 -7.085 -5.483) 31.985 6.295 ( -2.638 -5.108 1.635) 5.977 6.370 ( 1.779 1.325 -1.128) 2.489 6.567 ( -2.918 2.842 1.741) 4.429 6.633 ( -0.890 1.068 3.101) 3.398 6.746 ( 3.022 1.502 -2.480) 4.188 6.797 ( 1.414 4.275 -6.988) 8.313 6.843 ( 0.276 -4.102 -0.662) 4.164 6.966 ( 2.135 -4.772 -1.623) 5.474 7.175 ( -6.513 -2.277 1.768) 7.123 7.191 ( -1.685 1.511 0.326) 2.286 7.291 ( -5.803 2.547 0.736) 6.380 7.502 ( 2.444 4.223 -7.032) 8.560 7.583 ( 1.871 1.425 2.703) 3.583 7.787 ( 4.157 0.876 -4.362) 6.089 8.653 ( 0.913 -0.822 4.769) 4.924 8.715 ( 6.434 -9.167 9.878) 14.933 8.961 ( 2.327 -1.042 0.243) 2.561 9.241 ( 4.841 -6.764 -9.124) 12.346 9.656 ( 4.698 3.404 6.662) 8.834 9.741 ( 3.132 3.603 1.091) 4.897 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -0.000 14.975 13.706) 20.300 0.778 ( -0.000 22.932 12.037) 25.899 1.109 ( -0.000 21.381 9.336) 23.330 1.262 ( -0.000 17.830 3.743) 18.219 1.300 ( -0.000 9.502 -13.192) 16.258 1.811 ( -0.000 1.222 8.011) 8.103 1.870 ( 0.000 -7.937 -6.386) 10.187 2.026 ( 0.000 -2.218 3.122) 3.830 2.055 ( 0.000 -0.285 -5.024) 5.032 2.260 ( 0.000 -2.820 2.949) 4.080 2.291 ( 0.000 -6.510 7.862) 10.208 2.339 ( 0.000 -3.248 -1.109) 3.433 2.445 ( -0.000 6.854 -18.150) 19.401 2.512 ( 0.000 -3.742 -3.409) 5.062 2.527 ( 0.000 -1.331 0.114) 1.336 2.536 ( 0.000 -2.244 -0.279) 2.261 3.005 ( 0.000 -2.286 5.161) 5.645 3.077 ( 0.000 -3.436 0.735) 3.514 3.277 ( -0.000 1.068 0.478) 1.170 3.395 ( 0.000 -0.402 -1.431) 1.486 3.494 ( -0.000 1.235 -0.453) 1.315 3.605 ( -0.000 1.820 -4.444) 4.802 3.825 ( 0.000 -1.502 7.658) 7.804 3.900 ( 0.000 -4.809 3.264) 5.812 3.988 ( 0.000 -1.351 -1.758) 2.217 4.016 ( 0.000 -7.363 -2.164) 7.675 5.388 ( -0.000 3.227 1.098) 3.409 5.438 ( -0.000 2.930 -1.099) 3.130 6.310 ( 0.000 -6.723 1.842) 6.971 6.427 ( 0.000 -4.624 -4.218) 6.259 6.475 ( -0.000 9.448 4.415) 10.429 6.611 ( -0.000 0.521 4.590) 4.620 6.756 ( -0.000 2.537 -2.828) 3.800 6.771 ( -0.000 11.615 -15.386) 19.278 6.898 ( 0.000 -3.252 2.114) 3.879 7.030 ( 0.000 -4.867 -1.387) 5.060 7.075 ( -0.000 0.134 2.615) 2.618 7.177 ( -0.000 1.849 -1.984) 2.712 7.222 ( 0.000 -1.338 3.215) 3.483 7.501 ( -0.000 5.472 -9.466) 10.934 7.597 ( -0.000 0.522 5.798) 5.821 7.821 ( -0.000 1.320 -4.627) 4.812 8.666 ( 0.000 -0.726 5.010) 5.062 8.842 ( 0.000 -10.286 2.802) 10.660 9.021 ( 0.000 -7.544 8.734) 11.541 9.332 ( 0.000 -7.263 -5.861) 9.333 9.688 ( -0.000 4.159 3.939) 5.729 9.763 ( -0.000 2.351 1.621) 2.856 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.245 0.000 0.367) 0.441 1.866 ( 1.079 0.000 -0.440) 1.165 2.105 ( 5.615 0.000 -4.581) 7.247 2.107 ( -0.083 -0.000 -6.025) 6.026 2.395 ( 2.142 0.000 0.427) 2.184 2.410 ( 2.717 0.000 -1.456) 3.082 2.514 ( -7.611 -0.000 1.386) 7.736 2.531 ( -4.080 -0.000 2.509) 4.790 2.586 ( 0.146 0.000 0.175) 0.227 2.594 ( -2.404 -0.000 0.623) 2.484 2.792 ( -5.766 -0.000 -0.986) 5.850 2.814 ( -2.941 -0.000 -0.859) 3.064 2.863 ( -1.606 -0.000 0.141) 1.612 2.871 ( -0.181 -0.000 0.137) 0.227 2.956 ( -0.399 -0.000 6.736) 6.748 2.984 ( 0.352 0.000 5.226) 5.238 3.093 ( 1.903 0.000 0.981) 2.141 3.172 ( 3.767 0.000 -0.053) 3.768 3.333 ( -1.660 -0.000 -4.590) 4.881 3.335 ( 2.609 0.000 3.946) 4.731 3.360 ( 0.983 0.000 -9.640) 9.690 3.473 ( 1.675 0.000 -2.580) 3.076 3.793 ( 0.229 0.000 7.307) 7.310 3.977 ( 1.846 0.000 -2.353) 2.990 4.187 ( 7.825 0.000 1.997) 8.076 4.264 ( 9.208 0.000 -1.417) 9.316 6.156 ( -2.100 -0.000 -0.100) 2.103 6.260 ( -2.537 -0.000 -6.227) 6.724 6.514 ( -0.072 -0.000 6.193) 6.193 6.573 ( -1.072 -0.000 9.740) 9.799 6.763 ( -1.622 -0.000 -3.071) 3.473 6.793 ( 3.720 0.000 -0.730) 3.791 6.823 ( 2.882 0.000 -1.028) 3.060 6.922 ( 0.282 0.000 -7.140) 7.145 7.104 ( -2.660 -0.000 0.445) 2.697 7.121 ( -3.916 -0.000 -0.493) 3.946 7.214 ( 2.540 0.000 0.803) 2.664 7.240 ( 4.361 0.000 -0.884) 4.450 7.364 ( -3.862 -0.000 4.280) 5.765 7.515 ( -0.964 -0.000 -2.006) 2.226 7.747 ( -2.855 -0.000 -1.628) 3.286 7.864 ( 4.337 0.000 -6.229) 7.591 8.251 ( -6.743 -0.000 14.078) 15.609 8.378 ( -1.671 -0.000 13.040) 13.147 8.858 ( -1.910 -0.000 -16.164) 16.277 8.903 ( -0.740 -0.000 -12.414) 12.436 9.344 ( -0.966 -0.000 7.009) 7.075 9.405 ( 0.274 0.000 2.987) 2.999 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.310 -0.001 1.117) 1.159 1.884 ( 0.364 0.038 -0.749) 0.834 2.075 ( -2.992 0.068 -2.430) 3.855 2.161 ( -0.585 0.197 -5.519) 5.553 2.298 ( -10.316 1.932 2.368) 10.759 2.349 ( -7.927 -1.493 1.131) 8.145 2.412 ( -2.700 0.062 -2.129) 3.439 2.450 ( -3.394 0.523 -2.130) 4.041 2.524 ( -4.287 -0.432 0.802) 4.382 2.544 ( -4.733 -2.738 -1.164) 5.591 2.714 ( -1.399 -0.112 3.821) 4.071 2.843 ( 2.996 0.504 -1.556) 3.413 2.857 ( -0.989 -0.185 0.593) 1.168 2.866 ( 2.555 -0.148 -0.558) 2.619 2.997 ( 0.934 0.232 4.683) 4.781 3.020 ( 4.899 0.441 4.172) 6.449 3.129 ( 1.803 0.992 1.246) 2.405 3.218 ( 0.774 -0.851 -1.434) 1.838 3.296 ( -1.607 0.096 -3.763) 4.093 3.361 ( 0.383 0.196 -0.023) 0.431 3.409 ( 2.888 -2.333 -4.624) 5.930 3.509 ( 1.985 -0.372 -1.693) 2.635 3.785 ( -0.622 0.631 7.653) 7.704 3.983 ( -0.297 2.546 -2.715) 3.734 4.258 ( -0.769 0.216 2.388) 2.518 4.357 ( -0.137 -0.376 -1.959) 2.000 6.125 ( -0.915 -0.143 -0.646) 1.129 6.200 ( -3.206 0.103 -5.186) 6.098 6.499 ( -1.671 -0.102 6.399) 6.615 6.510 ( -4.524 -1.286 7.702) 9.024 6.742 ( -0.272 0.108 -2.045) 2.066 6.806 ( -5.516 -0.147 -2.400) 6.018 6.856 ( 2.231 0.462 -1.047) 2.507 6.950 ( 1.999 0.626 -6.660) 6.982 7.062 ( -1.655 -0.569 0.755) 1.906 7.080 ( -0.370 -0.242 -0.375) 0.579 7.234 ( -0.237 0.431 5.680) 5.702 7.312 ( 0.372 1.006 0.620) 1.239 7.333 ( 3.668 -0.944 -1.360) 4.024 7.495 ( -1.044 -0.156 -4.282) 4.410 7.707 ( -0.954 -0.190 0.872) 1.306 7.934 ( 2.775 0.483 -9.398) 9.811 8.132 ( -5.528 -0.799 16.647) 17.559 8.384 ( 2.050 0.217 14.657) 14.801 8.824 ( -1.507 -0.300 -18.834) 18.897 8.899 ( 0.187 0.126 -11.344) 11.346 9.343 ( 0.889 -0.060 8.436) 8.483 9.431 ( 2.451 0.042 2.285) 3.351 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -1.491 0.339 1.598) 2.212 1.851 ( -4.143 -0.237 1.064) 4.284 1.997 ( -5.251 0.919 -2.174) 5.757 2.030 ( -9.920 -1.496 -2.075) 10.245 2.190 ( -8.188 -2.683 0.823) 8.655 2.201 ( -2.224 -0.529 0.248) 2.299 2.330 ( -5.608 -0.918 -2.935) 6.396 2.372 ( -3.676 2.729 -3.881) 6.002 2.443 ( -5.147 -3.549 0.367) 6.263 2.482 ( -3.879 -5.103 -1.521) 6.588 2.702 ( -0.218 -0.329 6.833) 6.844 2.844 ( -0.723 0.976 1.353) 1.818 2.870 ( 0.890 -0.088 -0.889) 1.261 2.946 ( 4.008 0.558 -3.247) 5.188 3.018 ( 1.292 -0.232 3.623) 3.854 3.090 ( 1.372 1.014 0.364) 1.744 3.140 ( 0.664 1.526 2.296) 2.836 3.214 ( -0.941 0.314 -1.033) 1.432 3.283 ( 0.009 0.243 -3.013) 3.023 3.360 ( 0.040 0.403 0.067) 0.411 3.474 ( 2.062 -2.271 -3.672) 4.785 3.552 ( 2.244 -0.324 -1.295) 2.611 3.770 ( -0.558 0.236 7.087) 7.112 3.944 ( -1.932 3.278 -2.465) 4.533 4.155 ( -9.300 1.612 2.444) 9.750 4.254 ( -10.163 1.570 -1.917) 10.461 6.131 ( 1.435 -0.064 -1.621) 2.166 6.158 ( -0.902 -0.942 -3.636) 3.863 6.399 ( -5.994 -1.166 6.886) 9.204 6.488 ( -1.843 -1.307 3.348) 4.040 6.687 ( -5.245 -0.335 -0.719) 5.304 6.743 ( 0.098 -0.059 -1.116) 1.122 6.872 ( 0.016 0.365 -1.885) 1.920 6.930 ( -3.456 0.511 -3.628) 5.036 7.046 ( -0.522 -0.746 1.929) 2.133 7.094 ( 1.155 -1.146 -0.479) 1.697 7.260 ( 3.594 0.187 4.124) 5.473 7.328 ( 1.813 1.792 -0.456) 2.590 7.394 ( 1.751 -0.718 -2.688) 3.288 7.484 ( -0.806 -1.105 -4.913) 5.100 7.696 ( -1.393 -0.422 2.563) 2.947 7.941 ( -1.498 2.421 -6.572) 7.162 8.074 ( -1.724 -4.047 15.615) 16.223 8.440 ( 3.754 0.296 13.236) 13.761 8.811 ( -0.136 -1.236 -20.488) 20.526 8.903 ( 0.098 0.077 -9.613) 9.613 9.377 ( 2.540 0.061 9.355) 9.694 9.493 ( 4.006 0.489 1.253) 4.226 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -9.862 1.228 3.828) 10.650 1.790 ( -7.037 -0.560 -0.875) 7.113 1.850 ( -6.213 0.478 -1.084) 6.325 1.894 ( -5.670 -0.024 -4.216) 7.066 2.071 ( -6.490 -3.359 0.919) 7.365 2.176 ( -1.902 -2.975 4.492) 5.714 2.221 ( -5.404 -0.186 -5.685) 7.846 2.289 ( -4.114 1.247 -2.505) 4.976 2.365 ( -5.892 -7.299 0.964) 9.430 2.457 ( -2.315 -6.008 -1.326) 6.573 2.709 ( -0.009 -0.836 4.711) 4.785 2.803 ( -2.606 1.502 2.704) 4.044 2.888 ( 0.245 -1.749 0.949) 2.005 2.964 ( -3.689 1.414 -3.629) 5.365 3.025 ( -1.804 0.437 0.407) 1.900 3.044 ( -2.579 0.729 -0.232) 2.690 3.164 ( 1.329 0.743 1.266) 1.981 3.188 ( -1.424 0.213 0.640) 1.576 3.282 ( 0.957 3.107 -2.705) 4.229 3.371 ( 1.268 0.323 0.561) 1.424 3.494 ( -0.982 -0.158 -4.312) 4.425 3.591 ( 1.494 0.304 -1.920) 2.452 3.761 ( -1.484 -0.131 4.983) 5.201 3.856 ( -9.632 2.864 -1.486) 10.158 3.926 ( -8.222 2.486 2.360) 8.908 3.982 ( -14.402 3.668 -0.521) 14.871 6.160 ( 1.401 -0.944 -1.630) 2.347 6.198 ( 3.895 -0.662 -2.883) 4.891 6.316 ( -2.879 -1.564 4.891) 5.887 6.432 ( -4.251 -2.449 -0.457) 4.927 6.648 ( 0.447 -0.137 3.424) 3.456 6.732 ( -1.457 -0.398 0.985) 1.803 6.842 ( -4.825 -0.165 -1.528) 5.064 6.878 ( 0.886 0.186 -3.937) 4.040 7.051 ( -0.035 0.191 2.617) 2.625 7.118 ( -0.396 -2.984 -0.615) 3.072 7.339 ( 3.182 0.713 0.221) 3.268 7.371 ( 0.829 0.414 -0.073) 0.930 7.377 ( -1.681 0.877 -1.436) 2.379 7.466 ( -0.391 -0.810 -2.620) 2.770 7.639 ( -4.449 -0.127 3.279) 5.528 7.846 ( -7.718 1.388 -6.188) 9.989 8.115 ( 3.615 -6.085 14.763) 16.372 8.514 ( 3.861 0.192 9.747) 10.486 8.839 ( 2.049 -2.638 -20.482) 20.752 8.902 ( -0.052 -0.048 -7.774) 7.774 9.435 ( 3.609 0.419 9.749) 10.404 9.571 ( 4.428 1.135 0.460) 4.594 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -12.623 2.111 4.979) 13.733 1.583 ( -10.211 5.596 -0.401) 11.650 1.761 ( -6.326 1.914 -4.650) 8.082 1.796 ( -3.650 0.093 -2.537) 4.446 1.969 ( -5.830 -3.229 -0.828) 6.716 2.097 ( -6.126 -1.689 -4.589) 7.839 2.165 ( -4.735 -3.789 3.217) 6.865 2.213 ( -2.423 0.054 -2.453) 3.449 2.331 ( -2.438 -10.813 3.548) 11.639 2.428 ( -4.464 -3.902 2.399) 6.396 2.655 ( -5.776 2.384 1.030) 6.333 2.730 ( -7.360 -1.203 0.971) 7.520 2.792 ( -10.426 2.480 2.086) 10.918 2.879 ( -4.492 -3.004 1.281) 5.553 2.921 ( -6.682 0.669 -0.113) 6.716 3.013 ( -2.862 -0.908 0.735) 3.092 3.118 ( -8.790 3.229 0.402) 9.373 3.168 ( -0.643 1.237 -0.507) 1.484 3.268 ( -1.892 3.302 -1.962) 4.281 3.394 ( 1.187 1.249 1.147) 2.069 3.424 ( -5.695 2.614 -7.616) 9.863 3.549 ( -4.978 3.272 -4.653) 7.559 3.606 ( -6.245 0.283 1.106) 6.348 3.669 ( -2.129 -0.679 -0.760) 2.360 3.859 ( 0.058 0.188 3.783) 3.788 3.870 ( 0.459 0.140 2.968) 3.007 6.185 ( -0.082 -2.178 0.753) 2.306 6.266 ( 1.445 0.873 -2.691) 3.177 6.321 ( 2.229 -1.368 1.471) 3.001 6.399 ( -0.596 -4.783 -1.770) 5.135 6.662 ( -0.184 0.066 3.670) 3.675 6.707 ( -0.845 -0.213 2.826) 2.957 6.756 ( -4.111 -0.249 -0.481) 4.146 6.902 ( 1.228 0.192 -4.422) 4.593 6.974 ( -9.305 -1.968 1.412) 9.615 7.044 ( -14.078 -1.276 -2.421) 14.342 7.198 ( -4.214 -0.837 5.308) 6.829 7.414 ( 3.400 0.662 -1.693) 3.856 7.471 ( 0.905 1.153 -2.448) 2.853 7.478 ( 3.137 1.986 -1.176) 3.894 7.560 ( -0.864 0.202 1.436) 1.688 7.660 ( -9.441 -0.319 -1.989) 9.654 8.267 ( 7.707 -7.108 10.680) 14.966 8.577 ( 2.659 -0.193 6.110) 6.666 8.905 ( 0.433 -0.196 -5.906) 5.925 8.920 ( 4.428 -3.693 -18.111) 19.007 9.509 ( 4.583 0.937 9.694) 10.764 9.648 ( 4.569 1.837 0.159) 4.927 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -13.029 5.120 5.384) 14.999 1.367 ( -7.065 12.530 3.767) 14.869 1.598 ( -7.759 5.472 -6.630) 11.580 1.724 ( -4.143 1.129 -4.756) 6.407 1.884 ( -5.444 -3.065 -2.273) 6.648 1.981 ( -7.285 -0.741 -6.235) 9.618 2.099 ( -3.301 -4.566 4.252) 7.058 2.173 ( -3.590 -2.941 -0.586) 4.677 2.287 ( -10.218 1.283 5.151) 11.515 2.358 ( -4.481 -8.569 2.169) 9.910 2.466 ( -11.477 2.947 1.437) 11.936 2.516 ( -11.958 -3.368 0.505) 12.433 2.556 ( -15.260 7.169 4.596) 17.475 2.697 ( -13.559 3.530 2.671) 14.263 2.716 ( -12.007 -0.873 -3.302) 12.483 2.868 ( -10.428 3.824 -1.037) 11.155 2.940 ( -2.641 -2.396 3.502) 4.998 3.130 ( -0.825 3.843 -5.236) 6.547 3.236 ( 0.439 -0.051 0.122) 0.458 3.353 ( 0.845 1.396 -2.913) 3.339 3.434 ( 2.254 -0.399 -1.389) 2.677 3.531 ( 1.318 -2.060 -3.523) 4.289 3.621 ( 3.855 -3.631 -1.145) 5.418 3.680 ( 0.416 -6.136 -1.962) 6.455 3.871 ( 1.664 1.658 5.000) 5.524 3.911 ( 3.259 0.985 2.568) 4.264 6.152 ( -7.441 -1.140 0.045) 7.528 6.179 ( -14.096 0.459 -1.056) 14.142 6.318 ( -7.585 -5.723 0.758) 9.532 6.397 ( -4.264 -4.238 -2.274) 6.427 6.616 ( -2.269 1.097 2.894) 3.838 6.662 ( -2.073 2.514 3.030) 4.450 6.711 ( -0.106 0.071 0.050) 0.137 6.806 ( -5.536 -4.113 -1.143) 6.991 6.811 ( -4.077 -2.652 -0.423) 4.882 6.918 ( 0.479 1.083 -4.393) 4.549 7.174 ( -1.344 -1.432 4.012) 4.466 7.366 ( -7.160 2.375 -2.412) 7.920 7.425 ( -3.507 2.041 2.358) 4.693 7.502 ( 2.155 1.978 -0.128) 2.928 7.564 ( 1.179 0.676 -0.965) 1.667 7.677 ( 7.257 -0.471 -3.588) 8.109 8.459 ( 7.888 -6.460 8.014) 12.968 8.619 ( 1.519 -0.647 4.201) 4.514 8.921 ( 1.218 -0.230 -3.839) 4.034 9.041 ( 5.591 -4.661 -14.849) 16.537 9.598 ( 5.339 1.631 9.177) 10.741 9.723 ( 4.396 2.611 0.382) 5.127 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -8.490 10.178 7.292) 15.128 1.181 ( -3.311 18.926 7.392) 20.586 1.429 ( -5.440 8.688 -10.088) 14.382 1.592 ( -8.556 6.744 -8.658) 13.916 1.752 ( -10.561 6.152 0.637) 12.238 1.837 ( -5.745 0.182 -2.385) 6.223 1.965 ( -12.496 6.301 4.065) 14.573 2.077 ( -6.073 -1.447 7.474) 9.738 2.113 ( -5.166 -0.823 2.068) 5.625 2.177 ( -6.986 0.203 1.849) 7.229 2.277 ( -3.726 -3.017 -0.615) 4.833 2.329 ( -9.130 -5.296 4.463) 11.459 2.408 ( -3.051 -6.847 -0.059) 7.496 2.539 ( -4.669 -0.746 -2.622) 5.407 2.548 ( -5.272 -1.454 -1.076) 5.574 2.679 ( -6.162 6.827 -6.514) 11.270 2.930 ( -0.882 -4.694 4.540) 6.590 3.098 ( -0.288 3.792 -3.436) 5.125 3.262 ( 1.508 -0.944 0.377) 1.818 3.377 ( 1.229 -0.036 -3.623) 3.826 3.482 ( 2.409 0.026 1.053) 2.629 3.571 ( 1.309 -2.460 -1.529) 3.178 3.710 ( 2.138 -5.496 -1.571) 6.103 3.768 ( 3.162 -11.985 -1.734) 12.515 3.893 ( 1.745 2.852 5.619) 6.538 3.971 ( 3.526 1.825 1.246) 4.161 5.745 ( -23.654 1.146 -0.045) 23.681 5.781 ( -27.481 -3.094 -2.050) 27.730 6.239 ( -3.027 -4.891 2.402) 6.233 6.364 ( -0.750 -1.781 -3.197) 3.735 6.600 ( 0.066 1.994 3.181) 3.755 6.652 ( -0.333 2.262 3.969) 4.581 6.759 ( 3.248 0.811 -2.072) 3.937 6.795 ( 1.244 -3.701 -0.277) 3.914 6.829 ( 3.499 0.305 -4.051) 5.362 6.927 ( 0.785 -1.218 -3.759) 4.029 7.145 ( -3.504 -2.041 3.494) 5.353 7.226 ( -4.080 3.609 -0.816) 5.508 7.321 ( -4.878 3.080 1.910) 6.077 7.532 ( 1.758 1.380 -0.472) 2.284 7.601 ( 2.005 1.742 -1.968) 3.306 7.793 ( 4.414 0.253 -4.498) 6.307 8.623 ( 5.041 -6.608 6.905) 10.805 8.645 ( 1.004 -1.335 4.202) 4.522 8.952 ( 1.693 -0.539 -1.379) 2.249 9.170 ( 4.341 -6.005 -11.321) 13.530 9.685 ( 4.428 2.014 8.015) 9.376 9.779 ( 3.001 3.215 1.061) 4.524 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.000 12.944 10.375) 16.589 1.034 ( -0.000 22.955 7.868) 24.266 1.305 ( -0.000 13.416 -10.679) 17.148 1.416 ( -0.000 11.209 -10.472) 15.340 1.500 ( -0.000 23.164 11.302) 25.774 1.805 ( 0.000 -3.439 -4.535) 5.691 1.826 ( -0.000 1.457 7.008) 7.158 2.002 ( 0.000 -1.591 6.236) 6.436 2.049 ( 0.000 -0.894 -4.995) 5.074 2.216 ( 0.000 -6.427 8.508) 10.663 2.222 ( 0.000 -4.064 2.943) 5.017 2.293 ( 0.000 -5.270 -0.902) 5.347 2.410 ( 0.000 -8.284 -6.269) 10.389 2.502 ( 0.000 -2.638 0.334) 2.659 2.520 ( 0.000 -1.087 -0.447) 1.175 2.568 ( -0.000 9.196 -11.562) 14.773 2.953 ( 0.000 -5.892 4.110) 7.184 3.078 ( -0.000 2.641 -0.985) 2.819 3.284 ( 0.000 -0.109 0.191) 0.220 3.391 ( 0.000 -0.367 -3.191) 3.212 3.506 ( -0.000 0.830 1.178) 1.441 3.603 ( 0.000 -2.259 -1.593) 2.765 3.768 ( 0.000 -7.267 1.222) 7.369 3.878 ( 0.000 -12.651 -2.197) 12.841 3.897 ( -0.000 2.667 5.508) 6.120 4.009 ( -0.000 0.793 0.021) 0.793 5.427 ( -0.000 3.659 0.986) 3.789 5.473 ( -0.000 3.190 -1.030) 3.352 6.239 ( 0.000 -5.907 2.360) 6.361 6.377 ( 0.000 -4.077 -4.407) 6.004 6.583 ( -0.000 9.023 5.106) 10.368 6.617 ( -0.000 0.329 4.501) 4.513 6.775 ( -0.000 0.995 -3.464) 3.604 6.856 ( 0.000 -2.463 0.434) 2.501 6.863 ( -0.000 4.294 -9.953) 10.840 6.965 ( 0.000 -6.139 -2.723) 6.715 7.078 ( -0.000 0.287 3.257) 3.269 7.196 ( -0.000 1.445 -2.187) 2.621 7.238 ( -0.000 3.833 4.003) 5.543 7.544 ( -0.000 1.907 -3.578) 4.055 7.609 ( -0.000 1.981 0.531) 2.051 7.833 ( -0.000 0.821 -4.698) 4.769 8.656 ( 0.000 -0.985 4.396) 4.505 8.726 ( 0.000 -9.480 6.687) 11.601 8.980 ( 0.000 -1.697 1.415) 2.209 9.252 ( 0.000 -7.033 -8.749) 11.225 9.722 ( -0.000 2.152 6.354) 6.708 9.793 ( -0.000 3.079 1.752) 3.543 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -0.865 -0.000 1.679) 1.889 1.849 ( -4.689 -0.000 1.184) 4.836 2.004 ( -4.656 -0.000 -2.082) 5.101 2.020 ( -10.955 -0.000 -1.648) 11.078 2.175 ( -8.752 -0.000 0.888) 8.797 2.198 ( -1.981 -0.000 -0.125) 1.984 2.325 ( -5.672 -0.000 -2.588) 6.235 2.396 ( -2.352 -0.000 -4.561) 5.132 2.426 ( -6.153 -0.000 -0.969) 6.229 2.442 ( -4.868 -0.000 -0.455) 4.889 2.701 ( -0.268 -0.000 7.408) 7.413 2.851 ( 0.244 0.000 1.417) 1.438 2.868 ( -0.134 -0.000 -1.211) 1.219 2.949 ( 4.124 0.000 -3.380) 5.332 3.017 ( 1.291 0.000 3.888) 4.096 3.095 ( 1.410 0.000 0.379) 1.460 3.148 ( 0.192 0.000 2.560) 2.567 3.217 ( -0.819 -0.000 -1.703) 1.890 3.285 ( 0.911 0.000 -2.957) 3.095 3.362 ( -0.052 -0.000 -0.585) 0.588 3.460 ( 2.582 0.000 -2.992) 3.952 3.550 ( 2.391 0.000 -1.231) 2.689 3.771 ( -0.879 -0.000 7.499) 7.550 3.963 ( -2.495 -0.000 -2.805) 3.754 4.164 ( -8.986 -0.000 2.441) 9.312 4.263 ( -9.570 -0.000 -1.914) 9.760 6.131 ( 1.806 0.000 -1.776) 2.533 6.152 ( -1.289 -0.000 -3.621) 3.843 6.392 ( -6.131 -0.000 6.938) 9.259 6.481 ( -1.821 -0.000 3.310) 3.778 6.685 ( -5.225 -0.000 -0.537) 5.252 6.743 ( 0.027 0.000 -1.069) 1.070 6.874 ( -0.041 -0.000 -2.128) 2.128 6.933 ( -3.961 -0.000 -3.837) 5.515 7.042 ( 0.135 0.000 2.071) 2.076 7.087 ( 0.794 0.000 -0.320) 0.856 7.260 ( 3.254 0.000 4.679) 5.699 7.338 ( 2.136 0.000 -0.231) 2.149 7.389 ( 1.650 0.000 -3.210) 3.609 7.477 ( -0.890 -0.000 -5.642) 5.711 7.694 ( -1.277 -0.000 3.083) 3.337 7.956 ( -1.525 -0.000 -9.237) 9.362 8.049 ( -2.113 -0.000 18.370) 18.491 8.442 ( 3.710 0.000 13.259) 13.768 8.804 ( -0.334 -0.000 -20.716) 20.719 8.903 ( 0.056 0.000 -9.560) 9.560 9.377 ( 2.607 0.000 9.460) 9.813 9.496 ( 4.105 0.000 1.214) 4.280 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -9.735 0.447 3.932) 10.509 1.787 ( -5.370 -0.032 -1.182) 5.499 1.859 ( -4.891 0.836 -1.391) 5.153 1.891 ( -6.270 -0.435 -4.628) 7.805 2.040 ( -6.218 -1.785 3.257) 7.243 2.157 ( -2.832 -0.766 5.066) 5.854 2.216 ( -5.517 -0.381 -4.192) 6.940 2.301 ( -7.162 -2.294 -0.359) 7.529 2.324 ( -4.943 2.979 -3.112) 6.557 2.393 ( -1.379 -5.083 -4.158) 6.710 2.703 ( 0.179 -0.266 6.768) 6.775 2.828 ( -2.510 2.689 1.752) 4.074 2.863 ( -0.863 -2.632 1.426) 3.115 2.976 ( -2.553 0.631 -4.686) 5.374 3.030 ( -0.820 0.435 1.242) 1.551 3.046 ( -4.616 -0.105 0.251) 4.624 3.169 ( 1.182 0.146 1.379) 1.823 3.191 ( -1.270 0.181 0.176) 1.294 3.310 ( 1.289 1.589 -3.166) 3.770 3.371 ( 1.075 -0.150 -0.817) 1.359 3.491 ( 0.162 -0.237 -3.036) 3.049 3.593 ( 1.856 0.095 -1.511) 2.395 3.758 ( -0.721 -0.156 5.739) 5.786 3.877 ( -9.103 0.939 -1.851) 9.337 3.946 ( -9.719 0.973 2.383) 10.054 4.012 ( -14.840 1.487 -0.898) 14.942 6.153 ( 0.714 -0.320 -1.655) 1.830 6.193 ( 4.259 -0.222 -2.952) 5.187 6.303 ( -2.455 -0.637 4.805) 5.433 6.412 ( -4.667 -0.937 -0.413) 4.778 6.647 ( 0.563 -0.035 3.650) 3.693 6.729 ( -1.522 -0.132 0.869) 1.757 6.840 ( -4.977 -0.036 -1.168) 5.113 6.880 ( 1.030 0.123 -4.269) 4.393 7.058 ( 0.757 0.976 1.995) 2.346 7.089 ( -1.622 -1.959 0.120) 2.546 7.340 ( 4.411 -0.136 1.758) 4.751 7.372 ( -5.566 0.140 -1.509) 5.768 7.392 ( 4.084 0.953 -1.886) 4.599 7.457 ( -0.111 -0.674 -3.032) 3.108 7.638 ( -4.298 -0.023 3.693) 5.667 7.857 ( -8.565 0.508 -6.513) 10.772 8.069 ( 3.642 -2.163 15.717) 16.278 8.516 ( 3.748 0.069 9.732) 10.429 8.819 ( 1.800 -0.938 -21.035) 21.133 8.902 ( -0.095 -0.016 -7.723) 7.724 9.438 ( 3.723 0.141 9.977) 10.650 9.579 ( 4.548 0.383 0.400) 4.582 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -11.892 1.291 3.806) 12.553 1.650 ( -6.309 5.689 -4.228) 9.489 1.779 ( -4.585 1.247 -4.032) 6.232 1.796 ( -3.648 -0.058 -1.908) 4.118 1.939 ( -5.468 -1.994 2.201) 6.222 2.080 ( -5.979 -0.792 -0.732) 6.076 2.132 ( -4.716 -2.133 3.564) 6.285 2.201 ( -6.386 -7.603 -0.017) 9.929 2.235 ( -1.611 -0.785 -1.289) 2.207 2.390 ( -2.247 -3.091 -1.094) 3.975 2.671 ( -5.278 0.518 2.445) 5.839 2.734 ( -6.408 2.099 2.790) 7.297 2.810 ( -10.268 0.429 -0.670) 10.299 2.844 ( -6.814 -2.997 0.560) 7.465 2.928 ( -5.831 0.672 2.081) 6.228 3.004 ( -3.231 -0.838 1.626) 3.713 3.151 ( -4.775 2.601 0.292) 5.445 3.177 ( -0.271 0.310 -0.171) 0.446 3.298 ( -2.065 2.083 -3.080) 4.254 3.396 ( 1.117 -0.202 -3.573) 3.749 3.457 ( -3.552 2.532 -3.489) 5.586 3.582 ( -7.752 2.329 -3.880) 8.976 3.611 ( -7.945 0.909 0.597) 8.019 3.659 ( -6.299 -1.041 -0.832) 6.439 3.858 ( 0.894 -0.210 4.248) 4.346 3.872 ( -0.447 0.127 2.859) 2.897 6.161 ( -0.261 -1.810 1.573) 2.413 6.271 ( 2.515 0.200 -3.452) 4.276 6.312 ( 1.548 -0.350 0.739) 1.750 6.356 ( -1.702 -2.846 -1.192) 3.523 6.664 ( 0.277 0.194 4.274) 4.288 6.703 ( -0.904 -0.495 1.825) 2.096 6.755 ( -3.895 0.100 0.337) 3.911 6.905 ( 1.044 0.378 -4.830) 4.956 6.958 ( -10.536 -1.059 1.153) 10.651 7.032 ( -11.293 -0.875 -2.588) 11.618 7.196 ( -5.825 0.183 6.280) 8.568 7.418 ( 3.637 0.217 -2.024) 4.168 7.481 ( 1.891 0.549 -0.946) 2.184 7.498 ( 4.821 1.631 -2.236) 5.559 7.557 ( -2.114 -0.650 2.092) 3.045 7.659 ( -10.120 0.124 -2.418) 10.405 8.204 ( 8.180 -4.100 10.835) 14.182 8.575 ( 2.417 -0.140 5.664) 6.159 8.887 ( 4.396 -1.997 -18.679) 19.293 8.904 ( 0.413 -0.103 -5.938) 5.953 9.517 ( 4.730 0.452 10.068) 11.133 9.664 ( 4.702 0.933 0.104) 4.795 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -10.980 4.024 3.422) 12.184 1.503 ( -4.054 10.914 -3.539) 12.169 1.654 ( -6.120 5.086 -3.337) 8.629 1.738 ( -2.628 1.597 -2.348) 3.869 1.857 ( -4.603 -1.790 -1.081) 5.056 1.966 ( -6.375 -1.698 -3.806) 7.617 2.057 ( -3.619 -2.937 2.555) 5.315 2.127 ( -5.002 -5.732 -2.355) 7.963 2.257 ( -1.689 -7.903 5.301) 9.665 2.308 ( -7.345 1.880 2.612) 8.019 2.474 ( -15.822 -3.258 0.506) 16.162 2.489 ( -14.935 1.323 -0.531) 15.003 2.609 ( -9.041 1.954 2.984) 9.720 2.685 ( -11.023 -3.146 -0.907) 11.499 2.784 ( -12.487 8.581 5.405) 16.086 2.909 ( -7.834 1.787 4.148) 9.043 2.933 ( -6.292 3.633 1.314) 7.383 3.163 ( -0.566 0.834 -3.375) 3.523 3.237 ( -1.933 0.860 -3.291) 3.912 3.368 ( -0.846 1.116 -5.838) 6.003 3.428 ( 1.495 -0.573 -0.714) 1.753 3.495 ( -0.503 -3.944 -2.048) 4.472 3.576 ( 0.784 -4.634 -0.867) 4.779 3.635 ( 0.037 -1.718 -4.414) 4.737 3.888 ( 2.361 1.293 5.061) 5.732 3.920 ( 4.039 0.618 3.090) 5.122 6.144 ( -6.171 -0.160 1.176) 6.284 6.187 ( -15.148 0.996 -0.839) 15.204 6.259 ( -10.398 -4.856 0.416) 11.483 6.347 ( -1.709 -4.387 -3.002) 5.584 6.625 ( -2.881 0.496 2.756) 4.018 6.685 ( -2.229 1.414 3.063) 4.044 6.706 ( 0.342 -0.916 0.474) 1.087 6.775 ( -4.444 -1.304 -0.718) 4.687 6.789 ( -4.865 -1.364 -0.338) 5.064 6.933 ( 1.043 1.229 -5.207) 5.451 7.164 ( -0.921 -0.356 5.733) 5.818 7.393 ( -6.485 2.396 -3.828) 7.903 7.449 ( -3.048 2.267 3.043) 4.867 7.517 ( 1.698 0.881 2.077) 2.824 7.563 ( 1.320 -0.890 -0.370) 1.634 7.673 ( 7.496 -0.245 -4.491) 8.742 8.397 ( 8.712 -4.559 6.814) 11.963 8.612 ( 1.332 -0.537 3.364) 3.658 8.919 ( 1.177 -0.152 -3.903) 4.079 8.998 ( 5.412 -3.011 -15.704) 16.881 9.612 ( 5.436 0.888 9.755) 11.203 9.746 ( 4.565 1.633 0.330) 4.860 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( -6.805 7.849 4.319) 11.250 1.382 ( -0.836 16.112 -0.766) 16.152 1.507 ( -5.592 6.290 -6.456) 10.608 1.661 ( -4.160 6.120 -4.717) 8.776 1.773 ( -4.771 0.099 -1.621) 5.040 1.844 ( -5.879 0.315 -4.166) 7.212 2.006 ( -11.991 0.431 3.009) 12.371 2.043 ( -2.334 -2.599 2.175) 4.115 2.099 ( -5.878 -2.854 1.574) 6.721 2.171 ( -7.186 -3.360 -1.132) 8.013 2.257 ( -8.951 -6.040 3.364) 11.310 2.316 ( -7.134 -3.356 2.856) 8.385 2.375 ( -8.205 11.826 6.647) 15.854 2.521 ( -6.252 -1.870 -0.789) 6.573 2.544 ( -4.760 1.199 0.537) 4.938 2.754 ( -4.880 6.074 -1.592) 7.952 2.888 ( -1.430 -2.759 6.384) 7.100 3.144 ( -0.158 3.788 -6.193) 7.262 3.234 ( 0.253 -4.108 -1.121) 4.266 3.376 ( 0.859 -0.279 -5.111) 5.190 3.473 ( 2.101 -2.091 1.416) 3.285 3.529 ( 0.688 -4.296 -0.710) 4.409 3.632 ( 0.155 -9.470 -1.371) 9.570 3.678 ( 3.187 -2.919 -5.047) 6.644 3.923 ( 2.064 2.406 5.798) 6.608 3.989 ( 3.393 1.445 1.881) 4.140 5.757 ( -22.453 1.019 -0.309) 22.479 5.761 ( -24.869 -0.837 -0.572) 24.890 6.191 ( -2.401 -3.706 2.907) 5.287 6.342 ( -0.839 -1.837 -3.991) 4.473 6.608 ( 0.170 -0.115 3.232) 3.239 6.665 ( -0.602 -0.267 4.533) 4.580 6.759 ( 2.112 -1.008 -1.950) 3.046 6.767 ( 3.108 -1.606 -1.450) 3.787 6.817 ( 3.758 -0.944 -0.774) 3.951 6.941 ( 1.009 2.638 -5.272) 5.981 7.131 ( -2.992 -0.528 4.469) 5.404 7.261 ( -4.853 2.486 -1.847) 5.757 7.363 ( -3.223 4.507 3.243) 6.420 7.539 ( 0.790 0.074 4.670) 4.737 7.616 ( 2.533 0.568 -3.608) 4.445 7.792 ( 4.402 -0.476 -5.361) 6.953 8.560 ( 5.237 -4.651 4.528) 8.341 8.634 ( 0.639 -0.870 3.050) 3.235 8.948 ( 1.504 -0.318 -1.965) 2.495 9.112 ( 3.958 -4.378 -12.922) 14.207 9.702 ( 4.182 1.156 9.019) 10.008 9.810 ( 3.041 2.370 0.928) 3.966 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 10.476 6.415) 12.284 1.276 ( -0.000 20.937 5.113) 21.552 1.409 ( -0.000 5.772 -14.354) 15.471 1.540 ( -0.000 10.939 -7.573) 13.305 1.690 ( -0.000 8.810 1.585) 8.952 1.798 ( -0.000 1.080 -3.075) 3.259 1.841 ( -0.000 1.157 5.764) 5.879 2.018 ( -0.000 4.534 9.752) 10.755 2.035 ( 0.000 -1.597 -4.672) 4.938 2.171 ( 0.000 -4.991 2.414) 5.544 2.175 ( -0.000 0.841 11.073) 11.104 2.223 ( 0.000 -7.243 -0.618) 7.270 2.317 ( 0.000 -6.912 -3.992) 7.982 2.477 ( 0.000 -1.737 0.734) 1.886 2.509 ( 0.000 -0.976 -0.645) 1.170 2.666 ( -0.000 8.070 -6.335) 10.259 2.895 ( 0.000 -4.328 6.516) 7.823 3.119 ( -0.000 4.357 -5.103) 6.710 3.265 ( 0.000 -3.796 -0.435) 3.820 3.387 ( 0.000 -0.361 -4.660) 4.674 3.507 ( 0.000 -1.029 2.141) 2.375 3.560 ( 0.000 -4.754 0.068) 4.754 3.684 ( 0.000 -8.723 -2.163) 8.987 3.751 ( 0.000 -8.470 -3.214) 9.059 3.930 ( -0.000 2.902 5.846) 6.526 4.019 ( -0.000 1.107 1.104) 1.563 5.465 ( -0.000 3.037 0.828) 3.147 5.505 ( -0.000 2.504 -0.948) 2.677 6.184 ( 0.000 -3.965 2.867) 4.893 6.342 ( 0.000 -2.141 -4.702) 5.167 6.617 ( 0.000 -0.151 4.371) 4.374 6.647 ( -0.000 2.019 5.910) 6.245 6.779 ( 0.000 -0.261 -3.699) 3.708 6.831 ( 0.000 -1.448 -1.587) 2.148 6.877 ( 0.000 -2.814 -2.381) 3.686 6.938 ( -0.000 2.930 -5.570) 6.293 7.081 ( -0.000 0.226 3.612) 3.619 7.208 ( -0.000 0.774 -2.313) 2.439 7.295 ( -0.000 6.225 4.264) 7.546 7.548 ( 0.000 -0.503 4.589) 4.617 7.634 ( -0.000 1.902 -4.713) 5.082 7.837 ( 0.000 -0.190 -5.246) 5.250 8.638 ( 0.000 -4.766 4.317) 6.431 8.648 ( 0.000 -2.246 3.601) 4.244 8.968 ( 0.000 -0.667 -0.579) 0.884 9.181 ( 0.000 -5.667 -11.040) 12.410 9.740 ( -0.000 1.192 8.118) 8.205 9.827 ( -0.000 2.824 1.410) 3.157 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -11.529 -0.000 3.396) 12.019 1.686 ( -4.850 -0.000 -8.029) 9.380 1.786 ( -3.858 -0.000 -3.064) 4.927 1.796 ( -3.386 -0.000 -1.489) 3.699 1.928 ( -4.998 -0.000 4.675) 6.843 2.081 ( -4.713 -0.000 2.254) 5.224 2.120 ( -4.658 -0.000 4.123) 6.221 2.139 ( -8.192 -0.000 0.195) 8.194 2.241 ( -3.488 -0.000 -4.009) 5.314 2.370 ( -0.952 -0.000 -2.723) 2.885 2.672 ( -5.067 -0.000 3.666) 6.254 2.756 ( -6.274 -0.000 2.505) 6.756 2.802 ( -5.358 -0.000 1.464) 5.555 2.828 ( -12.752 -0.000 -2.754) 13.046 2.933 ( -5.450 -0.000 3.162) 6.301 2.998 ( -3.347 -0.000 1.878) 3.837 3.169 ( -2.273 -0.000 0.509) 2.329 3.175 ( -1.055 -0.000 -0.331) 1.106 3.310 ( -2.026 -0.000 -3.496) 4.041 3.394 ( 0.963 0.000 -4.417) 4.520 3.472 ( -1.997 -0.000 -2.863) 3.490 3.594 ( -11.350 -0.000 -2.319) 11.584 3.621 ( -3.128 -0.000 -1.043) 3.297 3.650 ( -11.310 -0.000 -0.728) 11.334 3.856 ( 1.094 0.000 4.414) 4.547 3.873 ( -0.609 -0.000 2.898) 2.961 6.150 ( -0.361 -0.000 1.814) 1.849 6.272 ( 3.121 0.000 -3.889) 4.987 6.310 ( 1.391 0.000 0.562) 1.500 6.340 ( -2.417 -0.000 -0.853) 2.563 6.665 ( 0.537 0.000 4.685) 4.716 6.699 ( -1.142 -0.000 1.337) 1.758 6.756 ( -3.797 -0.000 0.609) 3.845 6.908 ( 1.570 0.000 -5.426) 5.649 6.952 ( -11.762 -0.000 1.371) 11.842 7.027 ( -9.927 -0.000 -2.400) 10.213 7.197 ( -6.429 -0.000 6.472) 9.122 7.419 ( 3.800 0.000 -2.063) 4.324 7.484 ( 2.293 0.000 -0.303) 2.313 7.509 ( 6.999 0.000 -3.579) 7.861 7.551 ( -4.481 -0.000 3.196) 5.504 7.660 ( -10.071 -0.000 -2.720) 10.431 8.181 ( 8.314 0.000 10.949) 13.748 8.575 ( 2.322 0.000 5.472) 5.944 8.876 ( 4.431 0.000 -18.972) 19.483 8.903 ( 0.373 0.000 -5.822) 5.834 9.519 ( 4.772 0.000 10.194) 11.256 9.669 ( 4.747 0.000 0.083) 4.748 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -9.964 1.528 2.242) 10.327 1.578 ( -5.403 2.734 -11.915) 13.366 1.722 ( -1.928 6.140 0.189) 6.439 1.753 ( -1.229 0.290 -1.866) 2.254 1.844 ( -4.147 -0.508 2.463) 4.850 1.958 ( -6.674 1.064 -1.531) 6.930 2.023 ( -5.018 -4.942 0.043) 7.043 2.056 ( -3.905 -3.930 1.596) 5.766 2.205 ( -1.379 -1.807 3.233) 3.952 2.323 ( -4.601 0.641 0.354) 4.659 2.450 ( -17.867 -0.973 1.018) 17.923 2.499 ( -18.743 0.447 -0.951) 18.773 2.621 ( -8.109 0.715 1.905) 8.360 2.653 ( -9.864 -2.066 0.519) 10.091 2.842 ( -5.388 2.147 8.012) 9.891 2.909 ( -5.668 -0.296 4.636) 7.328 3.023 ( -9.599 9.775 1.460) 13.778 3.129 ( -4.369 -6.295 -0.665) 7.692 3.258 ( -1.785 1.853 -5.360) 5.946 3.376 ( -2.076 0.337 -11.127) 11.324 3.423 ( -1.846 -0.167 0.534) 1.929 3.458 ( -0.025 -2.296 -0.972) 2.493 3.537 ( -1.090 -2.011 0.053) 2.288 3.627 ( 1.003 -0.206 -5.479) 5.573 3.898 ( 2.659 0.474 5.007) 5.689 3.925 ( 4.553 0.212 3.388) 5.679 6.147 ( -2.006 0.519 2.337) 3.123 6.199 ( -16.449 1.037 -0.484) 16.489 6.216 ( -15.095 -2.600 -0.337) 15.321 6.309 ( 0.494 -2.082 -3.497) 4.099 6.628 ( -3.685 0.095 2.945) 4.718 6.693 ( -1.174 0.118 2.077) 2.389 6.696 ( -0.912 -0.514 1.014) 1.457 6.771 ( -2.251 0.076 1.566) 2.744 6.781 ( -6.490 -0.333 -2.505) 6.965 6.942 ( 1.412 0.425 -5.255) 5.458 7.163 ( -0.636 0.049 6.605) 6.636 7.413 ( -6.283 0.999 -4.885) 8.021 7.471 ( -2.926 1.467 3.006) 4.444 7.524 ( 1.595 0.408 3.495) 3.863 7.549 ( 2.035 -1.281 0.779) 2.528 7.671 ( 7.125 -0.021 -5.354) 8.912 8.362 ( 9.318 -1.666 6.288) 11.364 8.608 ( 1.227 -0.212 2.787) 3.052 8.918 ( 1.155 -0.048 -3.931) 4.097 8.976 ( 5.342 -1.037 -16.068) 16.964 9.618 ( 5.474 0.279 10.057) 11.454 9.758 ( 4.666 0.554 0.286) 4.707 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 338 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -5.883 4.381 1.933) 7.585 1.476 ( -3.276 2.078 -12.326) 12.922 1.625 ( -2.844 14.246 3.008) 14.835 1.721 ( -1.139 4.272 -2.004) 4.854 1.770 ( -3.557 -0.477 -2.488) 4.367 1.841 ( -5.884 -1.145 -3.353) 6.868 1.986 ( -5.877 -4.270 -0.016) 7.265 2.013 ( -1.507 -2.653 0.283) 3.065 2.075 ( -10.966 -0.667 2.274) 11.220 2.149 ( -10.701 0.110 -0.937) 10.742 2.187 ( -6.198 -5.727 3.656) 9.197 2.251 ( -8.497 -5.725 0.056) 10.245 2.493 ( -3.866 3.024 2.856) 5.679 2.507 ( -5.109 -0.408 0.966) 5.216 2.622 ( -9.865 13.937 7.955) 18.837 2.803 ( -4.452 2.309 4.173) 6.524 2.876 ( -2.253 1.661 6.395) 6.981 3.116 ( -1.833 -10.379 -0.435) 10.548 3.226 ( -0.184 3.895 -8.218) 9.096 3.367 ( 0.164 -1.613 -8.970) 9.115 3.436 ( 1.097 -3.594 0.987) 3.885 3.492 ( 1.354 -2.235 -0.854) 2.749 3.558 ( 0.891 -3.607 -0.241) 3.723 3.658 ( 1.817 -1.030 -6.600) 6.922 3.944 ( 2.263 1.375 5.961) 6.523 4.001 ( 3.359 0.779 2.319) 4.155 5.757 ( -23.638 -0.043 -0.037) 23.638 5.766 ( -21.965 0.570 -0.432) 21.976 6.159 ( -1.246 -1.972 3.262) 4.010 6.327 ( 0.174 -0.948 -4.361) 4.466 6.603 ( 0.043 -0.638 3.219) 3.282 6.656 ( -1.713 -0.920 4.172) 4.603 6.741 ( 3.117 -1.850 -0.797) 3.711 6.754 ( 1.100 -0.503 -3.223) 3.442 6.817 ( 4.427 0.477 0.967) 4.557 6.966 ( 1.881 1.667 -5.395) 5.951 7.131 ( -2.803 0.269 4.755) 5.526 7.280 ( -5.829 1.052 -2.472) 6.418 7.414 ( -1.489 4.185 3.651) 5.750 7.540 ( 0.337 0.282 6.905) 6.919 7.612 ( 2.653 -1.121 -1.768) 3.380 7.785 ( 4.200 -0.595 -6.945) 8.138 8.522 ( 5.598 -2.322 3.024) 6.773 8.626 ( 0.561 -0.527 2.199) 2.330 8.945 ( 1.446 -0.144 -2.201) 2.638 9.075 ( 3.704 -2.292 -13.840) 14.510 9.711 ( 4.069 0.544 9.615) 10.455 9.831 ( 3.114 1.251 0.807) 3.452 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 7.033 2.941) 7.623 1.442 ( -0.000 0.854 -13.482) 13.509 1.490 ( -0.000 17.666 3.059) 17.929 1.650 ( -0.000 8.684 -4.748) 9.897 1.733 ( -0.000 1.178 -2.341) 2.620 1.798 ( 0.000 -0.477 -3.239) 3.274 1.847 ( 0.000 -0.346 4.620) 4.633 2.015 ( 0.000 -1.944 -4.164) 4.595 2.038 ( 0.000 -0.438 3.919) 3.944 2.115 ( 0.000 -4.912 1.388) 5.104 2.139 ( 0.000 -7.641 -0.202) 7.644 2.165 ( 0.000 -6.493 2.035) 6.804 2.381 ( -0.000 18.862 11.724) 22.208 2.464 ( 0.000 -0.661 0.912) 1.126 2.499 ( 0.000 -0.764 -0.635) 0.994 2.739 ( -0.000 4.870 0.617) 4.909 2.860 ( 0.000 -1.873 8.491) 8.695 3.149 ( 0.000 -3.967 -3.050) 5.004 3.212 ( 0.000 -1.294 -5.749) 5.893 3.380 ( 0.000 -1.297 -6.936) 7.056 3.475 ( 0.000 -4.570 1.916) 4.955 3.518 ( 0.000 -2.600 -0.649) 2.680 3.594 ( 0.000 -5.780 -1.048) 5.874 3.694 ( 0.000 -3.162 -5.949) 6.737 3.958 ( -0.000 2.044 6.165) 6.495 4.031 ( -0.000 0.968 1.774) 2.021 5.491 ( -0.000 1.782 0.672) 1.904 5.527 ( -0.000 1.387 -0.885) 1.646 6.152 ( 0.000 -1.860 3.308) 3.795 6.329 ( 0.000 -0.438 -5.074) 5.093 6.614 ( 0.000 -0.342 4.287) 4.301 6.641 ( 0.000 -2.006 5.261) 5.631 6.772 ( 0.000 -0.818 -3.623) 3.714 6.799 ( 0.000 -3.761 -1.739) 4.143 6.869 ( -0.000 0.951 -0.248) 0.982 6.982 ( -0.000 3.887 -5.298) 6.571 7.083 ( -0.000 0.111 3.704) 3.706 7.214 ( -0.000 0.251 -2.374) 2.387 7.368 ( -0.000 6.563 4.546) 7.984 7.542 ( 0.000 -0.377 7.836) 7.845 7.643 ( 0.000 -0.281 -3.610) 3.621 7.830 ( 0.000 -0.857 -6.722) 6.776 8.590 ( 0.000 -3.183 2.268) 3.909 8.636 ( 0.000 -0.801 2.483) 2.609 8.963 ( 0.000 -0.295 -1.265) 1.299 9.129 ( 0.000 -3.648 -12.551) 13.071 9.750 ( -0.000 0.688 9.125) 9.150 9.853 ( -0.000 1.892 1.166) 2.222 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.581 -0.000 1.009) 5.671 1.483 ( -4.231 -0.000 -11.822) 12.557 1.737 ( -0.393 -0.000 -3.947) 3.966 1.746 ( -0.249 -0.000 -1.469) 1.490 1.767 ( -2.942 -0.000 2.445) 3.826 1.817 ( -8.400 -0.000 -0.735) 8.432 1.941 ( -1.883 -0.000 -1.041) 2.152 2.005 ( -1.010 -0.000 -1.677) 1.958 2.073 ( -15.765 -0.000 2.461) 15.956 2.150 ( -4.188 -0.000 4.386) 6.064 2.161 ( -12.888 -0.000 -1.588) 12.986 2.210 ( -8.308 -0.000 0.413) 8.318 2.498 ( -4.332 -0.000 0.806) 4.406 2.508 ( -3.633 -0.000 1.532) 3.943 2.725 ( -7.537 -0.000 12.676) 14.748 2.806 ( -4.401 -0.000 5.491) 7.037 2.928 ( -4.958 -0.000 7.628) 9.098 3.005 ( -2.650 -0.000 -2.893) 3.924 3.259 ( 0.399 0.000 -6.659) 6.670 3.349 ( -0.751 -0.000 -14.157) 14.177 3.416 ( 1.054 0.000 1.958) 2.224 3.480 ( 1.663 0.000 -0.976) 1.928 3.541 ( 1.277 0.000 0.092) 1.280 3.653 ( 1.364 0.000 -6.945) 7.078 3.952 ( 2.358 0.000 6.021) 6.466 4.006 ( 3.346 0.000 2.483) 4.167 5.757 ( -23.356 -0.000 0.085) 23.356 5.770 ( -21.869 -0.000 -0.467) 21.874 6.148 ( -0.652 -0.000 3.398) 3.460 6.322 ( 0.732 0.000 -4.481) 4.541 6.599 ( -0.040 -0.000 3.218) 3.219 6.651 ( -2.071 -0.000 3.997) 4.502 6.730 ( 2.825 0.000 -0.794) 2.934 6.752 ( 0.855 0.000 -3.340) 3.448 6.820 ( 4.593 0.000 1.478) 4.825 6.975 ( 2.192 0.000 -5.294) 5.730 7.133 ( -2.754 -0.000 4.708) 5.454 7.286 ( -6.204 -0.000 -2.653) 6.748 7.440 ( -0.813 -0.000 3.609) 3.700 7.543 ( 0.346 0.000 7.313) 7.322 7.602 ( 2.530 0.000 -0.237) 2.541 7.782 ( 4.085 0.000 -7.863) 8.860 8.509 ( 5.791 0.000 2.556) 6.330 8.623 ( 0.535 0.000 1.850) 1.926 8.944 ( 1.435 0.000 -2.264) 2.680 9.062 ( 3.611 0.000 -14.135) 14.589 9.714 ( 4.041 0.000 9.813) 10.613 9.838 ( 3.146 0.000 0.759) 3.237 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 2.520 0.856) 2.661 1.442 ( 0.000 -0.313 -11.398) 11.403 1.656 ( -0.000 11.756 0.980) 11.797 1.715 ( -0.000 1.814 -2.162) 2.822 1.737 ( 0.000 -0.009 -4.717) 4.717 1.796 ( -0.000 0.004 -3.610) 3.610 1.828 ( 0.000 -2.707 4.335) 5.111 1.996 ( 0.000 -1.170 -3.968) 4.137 2.039 ( -0.000 1.007 2.234) 2.451 2.071 ( 0.000 -3.199 0.278) 3.211 2.074 ( 0.000 -2.709 0.308) 2.727 2.095 ( 0.000 -4.747 1.781) 5.071 2.460 ( 0.000 -0.103 0.915) 0.921 2.493 ( 0.000 -0.315 -0.543) 0.628 2.588 ( -0.000 14.274 14.980) 20.692 2.764 ( 0.000 -0.404 5.511) 5.525 2.866 ( -0.000 3.502 8.592) 9.279 3.026 ( 0.000 -12.452 -0.677) 12.470 3.251 ( -0.000 4.165 -8.212) 9.208 3.353 ( 0.000 -3.053 -12.444) 12.813 3.435 ( 0.000 -1.767 2.101) 2.745 3.500 ( 0.000 -0.801 -0.742) 1.092 3.561 ( 0.000 -1.070 -0.350) 1.125 3.671 ( 0.000 -1.108 -7.188) 7.273 3.974 ( -0.000 0.790 6.350) 6.399 4.039 ( -0.000 0.343 2.140) 2.167 5.504 ( -0.000 0.546 0.580) 0.796 5.536 ( -0.000 0.409 -0.857) 0.949 6.140 ( 0.000 -0.459 3.569) 3.599 6.328 ( -0.000 0.085 -5.340) 5.341 6.611 ( 0.000 -0.166 4.243) 4.246 6.621 ( 0.000 -1.053 4.812) 4.926 6.764 ( 0.000 -0.440 -3.468) 3.496 6.768 ( 0.000 -1.513 -1.696) 2.273 6.878 ( -0.000 0.468 0.850) 0.970 7.013 ( -0.000 1.469 -5.353) 5.551 7.083 ( -0.000 0.031 3.683) 3.683 7.215 ( -0.000 0.033 -2.395) 2.395 7.425 ( -0.000 3.066 4.490) 5.437 7.543 ( -0.000 0.562 8.731) 8.749 7.631 ( 0.000 -1.328 -0.857) 1.580 7.822 ( 0.000 -0.460 -8.469) 8.481 8.568 ( 0.000 -0.988 1.214) 1.565 8.629 ( 0.000 -0.301 1.815) 1.840 8.961 ( 0.000 -0.079 -1.503) 1.505 9.102 ( 0.000 -1.262 -13.295) 13.355 9.755 ( -0.000 0.233 9.591) 9.594 9.867 ( -0.000 0.661 1.034) 1.227 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 0.000 -19.121) 19.121 0.734 ( 0.000 0.000 19.121) 19.121 0.845 ( 0.000 0.000 -20.977) 20.977 0.845 ( 0.000 0.000 20.977) 20.977 1.558 ( 0.000 0.000 -36.293) 36.293 1.558 ( 0.000 0.000 36.293) 36.293 1.945 ( 0.000 0.000 -7.357) 7.357 1.945 ( 0.000 0.000 7.357) 7.357 2.127 ( 0.000 0.000 -1.014) 1.014 2.127 ( 0.000 0.000 1.014) 1.014 2.339 ( 0.000 0.000 -2.418) 2.418 2.339 ( 0.000 0.000 2.418) 2.418 2.482 ( 0.000 0.000 -5.833) 5.833 2.482 ( 0.000 0.000 5.833) 5.833 2.554 ( 0.000 0.000 -0.903) 0.903 2.554 ( 0.000 0.000 0.903) 0.903 3.145 ( 0.000 0.000 -2.209) 2.209 3.145 ( 0.000 0.000 2.209) 2.209 3.340 ( 0.000 0.000 -7.301) 7.301 3.340 ( 0.000 0.000 7.301) 7.301 3.457 ( 0.000 0.000 -0.395) 0.395 3.457 ( 0.000 0.000 0.395) 0.395 3.925 ( 0.000 0.000 -0.756) 0.756 3.925 ( 0.000 0.000 0.756) 0.756 4.065 ( 0.000 0.000 -4.253) 4.253 4.065 ( 0.000 0.000 4.253) 4.253 5.376 ( 0.000 0.000 -1.647) 1.647 5.376 ( 0.000 0.000 1.647) 1.647 6.424 ( 0.000 0.000 -1.619) 1.619 6.424 ( 0.000 0.000 1.619) 1.619 6.438 ( 0.000 0.000 -1.419) 1.419 6.438 ( 0.000 0.000 1.419) 1.419 6.666 ( 0.000 0.000 -2.046) 2.046 6.666 ( 0.000 0.000 2.046) 2.046 7.040 ( 0.000 0.000 -5.425) 5.425 7.040 ( 0.000 0.000 5.425) 5.425 7.113 ( 0.000 0.000 -2.256) 2.256 7.113 ( 0.000 0.000 2.256) 2.256 7.308 ( 0.000 0.000 -2.836) 2.836 7.308 ( 0.000 0.000 2.836) 2.836 7.699 ( 0.000 0.000 -6.186) 6.186 7.699 ( 0.000 0.000 6.186) 6.186 8.797 ( 0.000 0.000 -7.575) 7.575 8.797 ( 0.000 0.000 7.575) 7.575 9.396 ( 0.000 0.000 -2.796) 2.796 9.396 ( 0.000 0.000 2.796) 2.796 9.654 ( 0.000 0.000 -4.856) 4.856 9.654 ( 0.000 0.000 4.856) 4.856 ======================= Grid point 352 (100/147) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 14.557 -2.462 -13.173) 19.787 0.897 ( 14.557 -2.462 13.173) 19.787 1.117 ( 18.724 -3.556 -15.408) 24.508 1.117 ( 18.724 -3.556 15.408) 24.508 1.701 ( 15.724 -1.835 -29.381) 33.374 1.701 ( 15.724 -1.835 29.381) 33.374 1.986 ( 2.864 -0.561 -4.154) 5.077 1.986 ( 2.864 -0.561 4.154) 5.077 2.192 ( 7.401 -0.318 -3.463) 8.177 2.192 ( 7.401 -0.318 3.463) 8.177 2.340 ( 0.576 0.853 -3.443) 3.594 2.340 ( 0.576 0.853 3.443) 3.594 2.528 ( 4.848 1.049 -2.598) 5.600 2.528 ( 4.848 1.049 2.598) 5.600 2.599 ( 5.116 0.438 -3.274) 6.090 2.599 ( 5.116 0.438 3.274) 6.090 3.116 ( -1.841 1.894 -1.815) 3.205 3.116 ( -1.841 1.894 1.815) 3.205 3.316 ( -1.980 -0.002 -5.729) 6.061 3.316 ( -1.980 -0.002 5.729) 6.061 3.450 ( -1.339 -1.520 -1.105) 2.307 3.450 ( -1.339 -1.520 1.105) 2.307 3.878 ( -2.838 -0.840 -1.824) 3.477 3.878 ( -2.838 -0.840 1.824) 3.477 4.004 ( -5.438 2.398 -4.069) 7.203 4.004 ( -5.438 2.398 4.069) 7.203 5.795 ( 32.823 1.154 -7.554) 33.701 5.795 ( 32.823 1.154 7.554) 33.701 6.329 ( -2.807 -1.594 -2.113) 3.858 6.329 ( -2.807 -1.594 2.113) 3.858 6.565 ( 6.867 -0.157 -2.885) 7.450 6.565 ( 6.867 -0.157 2.885) 7.450 6.664 ( -1.045 -0.871 -1.445) 1.985 6.664 ( -1.045 -0.871 1.445) 1.985 6.998 ( -0.867 1.782 -5.179) 5.545 6.998 ( -0.867 1.782 5.179) 5.545 7.208 ( 6.546 0.085 -1.884) 6.812 7.208 ( 6.546 0.085 1.884) 6.812 7.290 ( -1.236 -1.052 -2.939) 3.357 7.290 ( -1.236 -1.052 2.939) 3.357 7.665 ( -3.621 -0.464 -6.178) 7.176 7.665 ( -3.621 -0.464 6.178) 7.176 8.783 ( -1.215 0.489 -7.214) 7.332 8.783 ( -1.215 0.489 7.214) 7.332 9.252 ( -11.085 4.673 -8.134) 14.522 9.252 ( -11.085 4.673 8.134) 14.522 9.638 ( -2.506 -2.785 -3.663) 5.240 9.638 ( -2.506 -2.785 3.663) 5.240 ======================= Grid point 354 (101/147) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 17.672 -1.117 -4.477) 18.265 1.232 ( 17.672 -1.117 4.477) 18.265 1.421 ( 12.361 -2.864 -12.418) 17.754 1.421 ( 12.361 -2.864 12.418) 17.754 1.985 ( 3.989 2.668 -2.410) 5.370 1.985 ( 3.989 2.668 2.410) 5.370 2.176 ( 19.979 -4.139 -13.691) 24.571 2.176 ( 19.979 -4.139 13.691) 24.571 2.339 ( 4.888 -0.797 -0.931) 5.039 2.339 ( 4.888 -0.797 0.931) 5.039 2.433 ( 12.125 -0.942 -4.104) 12.835 2.433 ( 12.125 -0.942 4.104) 12.835 2.626 ( 6.445 1.878 -0.695) 6.749 2.626 ( 6.445 1.878 0.695) 6.749 2.759 ( 11.716 0.372 -3.896) 12.353 2.759 ( 11.716 0.372 3.896) 12.353 3.076 ( -1.020 1.465 -0.836) 1.971 3.076 ( -1.020 1.465 0.836) 1.971 3.279 ( -1.710 0.009 -4.088) 4.431 3.279 ( -1.710 0.009 4.088) 4.431 3.421 ( -2.371 -1.263 -1.784) 3.225 3.421 ( -2.371 -1.263 1.784) 3.225 3.821 ( -7.015 2.337 -1.698) 7.586 3.821 ( -7.015 2.337 1.698) 7.586 3.881 ( -2.305 -0.309 -0.911) 2.498 3.881 ( -2.305 -0.309 0.911) 2.498 6.149 ( 3.017 -0.552 -0.246) 3.077 6.149 ( 3.017 -0.552 0.246) 3.077 6.477 ( 12.108 1.639 -3.022) 12.586 6.477 ( 12.108 1.639 3.022) 12.586 6.641 ( 1.387 -1.188 -1.551) 2.396 6.641 ( 1.387 -1.188 1.551) 2.396 6.699 ( 7.352 0.106 -5.745) 9.331 6.699 ( 7.352 0.106 5.745) 9.331 7.008 ( 4.235 4.864 -2.637) 6.968 7.008 ( 4.235 4.864 2.637) 6.968 7.248 ( -0.121 -2.163 -3.687) 4.276 7.248 ( -0.121 -2.163 3.687) 4.276 7.376 ( 6.571 -0.750 -1.218) 6.725 7.376 ( 6.571 -0.750 1.218) 6.725 7.578 ( -4.929 -0.961 -6.131) 7.925 7.578 ( -4.929 -0.961 6.131) 7.925 8.749 ( -1.783 1.120 -5.849) 6.217 8.749 ( -1.783 1.120 5.849) 6.217 9.017 ( -9.652 4.570 -11.401) 15.621 9.017 ( -9.652 4.570 11.401) 15.621 9.595 ( -3.455 -2.930 -2.731) 5.289 9.595 ( -3.455 -2.930 2.731) 5.289 ======================= Grid point 356 (102/147) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 13.055 -0.513 -6.468) 14.578 1.534 ( 13.055 -0.513 6.468) 14.578 1.667 ( 12.181 -0.695 -2.038) 12.370 1.667 ( 12.181 -0.695 2.038) 12.370 2.026 ( 3.017 0.264 -1.456) 3.361 2.026 ( 3.017 0.264 1.456) 3.361 2.352 ( 4.511 5.100 -0.393) 6.820 2.352 ( 4.511 5.100 0.393) 6.820 2.519 ( 6.836 -0.639 -1.639) 7.059 2.519 ( 6.836 -0.639 1.639) 7.059 2.690 ( 10.634 -3.237 -4.410) 11.958 2.690 ( 10.634 -3.237 4.410) 11.958 2.788 ( 10.112 0.033 -2.676) 10.460 2.788 ( 10.112 0.033 2.676) 10.460 3.015 ( 10.036 1.301 -4.561) 11.101 3.015 ( 10.036 1.301 4.561) 11.101 3.072 ( 3.907 -0.371 -0.072) 3.925 3.072 ( 3.907 -0.371 0.072) 3.925 3.267 ( 1.018 -0.141 -3.921) 4.054 3.267 ( 1.018 -0.141 3.921) 4.054 3.391 ( 0.254 -0.844 -3.579) 3.686 3.391 ( 0.254 -0.844 3.579) 3.686 3.639 ( -8.476 -0.018 -2.022) 8.714 3.639 ( -8.476 -0.018 2.022) 8.714 3.885 ( 0.927 -0.382 -1.332) 1.667 3.885 ( 0.927 -0.382 1.332) 1.667 6.179 ( 0.981 -1.637 -0.550) 1.986 6.179 ( 0.981 -1.637 0.550) 1.986 6.486 ( -2.385 2.562 -4.233) 5.493 6.486 ( -2.385 2.562 4.233) 5.493 6.739 ( 3.664 0.917 -2.766) 4.681 6.739 ( 3.664 0.917 2.766) 4.681 6.792 ( 1.407 -0.512 -5.738) 5.930 6.792 ( 1.407 -0.512 5.738) 5.930 7.133 ( 8.428 5.447 -0.926) 10.078 7.133 ( 8.428 5.447 0.926) 10.078 7.302 ( 5.097 -1.963 -4.394) 7.010 7.302 ( 5.097 -1.963 4.394) 7.010 7.382 ( -6.121 -1.493 -2.022) 6.616 7.382 ( -6.121 -1.493 2.022) 6.616 7.592 ( 5.658 -0.877 -4.787) 7.463 7.592 ( 5.658 -0.877 4.787) 7.463 8.703 ( -2.208 2.435 -3.116) 4.529 8.703 ( -2.208 2.435 3.116) 4.529 8.846 ( -6.018 3.727 -7.400) 10.240 8.846 ( -6.018 3.727 7.400) 10.240 9.545 ( -3.284 -2.540 -2.125) 4.664 9.545 ( -3.284 -2.540 2.125) 4.664 ======================= Grid point 358 (103/147) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 8.483 -1.041 -7.079) 11.098 1.744 ( 8.483 -1.041 7.079) 11.098 1.847 ( 6.561 0.868 -1.421) 6.769 1.847 ( 6.561 0.868 1.421) 6.769 2.130 ( 7.822 0.219 -1.575) 7.982 2.130 ( 7.822 0.219 1.575) 7.982 2.399 ( 3.657 6.133 -1.105) 7.225 2.399 ( 3.657 6.133 1.105) 7.225 2.599 ( 2.893 0.770 -3.295) 4.452 2.599 ( 2.893 0.770 3.295) 4.452 2.832 ( 3.758 1.342 -6.736) 7.829 2.832 ( 3.758 1.342 6.736) 7.829 2.936 ( 3.624 -1.430 -2.245) 4.497 2.936 ( 3.624 -1.430 2.245) 4.497 2.992 ( -2.649 4.224 -1.298) 5.152 2.992 ( -2.649 4.224 1.298) 5.152 3.178 ( 1.027 0.589 -2.805) 3.045 3.178 ( 1.027 0.589 2.805) 3.045 3.283 ( 0.970 -0.409 -8.078) 8.146 3.283 ( 0.970 -0.409 8.078) 8.146 3.448 ( -1.707 -3.949 -5.435) 6.932 3.448 ( -1.707 -3.949 5.435) 6.932 3.670 ( 11.714 -5.947 -0.568) 13.150 3.670 ( 11.714 -5.947 0.568) 13.150 3.919 ( 3.724 0.203 -1.556) 4.041 3.919 ( 3.724 0.203 1.556) 4.041 6.194 ( -0.079 0.971 -0.797) 1.259 6.194 ( -0.079 0.971 0.797) 1.259 6.468 ( 2.580 1.597 -4.846) 5.717 6.468 ( 2.580 1.597 4.846) 5.717 6.737 ( -1.379 0.676 -5.130) 5.355 6.737 ( -1.379 0.676 5.130) 5.355 6.843 ( 3.122 0.909 -2.727) 4.244 6.843 ( 3.122 0.909 2.727) 4.244 7.163 ( -1.804 2.542 -3.395) 4.609 7.163 ( -1.804 2.542 3.395) 4.609 7.279 ( -4.040 -2.411 -1.352) 4.895 7.279 ( -4.040 -2.411 1.352) 4.895 7.431 ( 4.895 -0.234 -1.378) 5.091 7.431 ( 4.895 -0.234 1.378) 5.091 7.702 ( 4.695 -0.539 -4.010) 6.198 7.702 ( 4.695 -0.539 4.010) 6.198 8.633 ( -3.044 4.500 -10.001) 11.382 8.633 ( -3.044 4.500 10.001) 11.382 8.741 ( -3.553 1.649 -6.589) 7.665 8.741 ( -3.553 1.649 6.589) 7.665 9.499 ( -2.829 -1.878 -2.009) 3.945 9.499 ( -2.829 -1.878 2.009) 3.945 ======================= Grid point 360 (104/147) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 1.867 -0.618 -1.416) 2.423 1.844 ( 1.867 -0.618 1.416) 2.423 1.965 ( 6.388 -0.539 -2.846) 7.014 1.965 ( 6.388 -0.539 2.846) 7.014 2.277 ( 6.942 1.568 -1.353) 7.244 2.277 ( 6.942 1.568 1.353) 7.244 2.419 ( 2.014 6.241 -1.970) 6.848 2.419 ( 2.014 6.241 1.970) 6.848 2.633 ( 1.510 2.395 -1.104) 3.039 2.633 ( 1.510 2.395 1.104) 3.039 2.825 ( -2.929 3.448 -3.655) 5.816 2.825 ( -2.929 3.448 3.655) 5.816 2.883 ( -1.299 0.366 -1.434) 1.969 2.883 ( -1.299 0.366 1.434) 1.969 3.026 ( 1.183 -1.859 -1.001) 2.420 3.026 ( 1.183 -1.859 1.001) 2.420 3.163 ( -1.057 0.086 -6.061) 6.153 3.163 ( -1.057 0.086 6.061) 6.153 3.314 ( 1.402 -0.081 -4.136) 4.367 3.314 ( 1.402 -0.081 4.136) 4.367 3.452 ( -0.270 -5.502 -2.462) 6.034 3.452 ( -0.270 -5.502 2.462) 6.034 3.813 ( 1.421 0.229 -1.651) 2.190 3.813 ( 1.421 0.229 1.651) 2.190 4.104 ( 12.030 -3.880 -2.863) 12.960 4.104 ( 12.030 -3.880 2.863) 12.960 6.172 ( -0.778 2.296 -1.712) 2.968 6.172 ( -0.778 2.296 1.712) 2.968 6.557 ( 6.630 1.098 -4.388) 8.027 6.557 ( 6.630 1.098 4.388) 8.027 6.713 ( -0.545 1.040 -3.861) 4.036 6.713 ( -0.545 1.040 3.861) 4.036 6.866 ( -0.776 -0.333 -2.098) 2.262 6.866 ( -0.776 -0.333 2.098) 2.262 7.121 ( -0.564 1.527 -1.271) 2.065 7.121 ( -0.564 1.527 1.271) 2.065 7.236 ( -1.908 -2.281 -0.428) 3.005 7.236 ( -1.908 -2.281 0.428) 3.005 7.466 ( -0.565 1.189 -2.914) 3.198 7.466 ( -0.565 1.189 2.914) 3.198 7.766 ( 1.583 -0.742 -3.958) 4.327 7.766 ( 1.583 -0.742 3.958) 4.327 8.555 ( -2.103 4.212 -16.272) 16.939 8.555 ( -2.103 4.212 16.272) 16.939 8.680 ( -2.596 0.137 -12.520) 12.787 8.680 ( -2.596 0.137 12.520) 12.787 9.459 ( -2.156 -1.129 -2.003) 3.152 9.459 ( -2.156 -1.129 2.003) 3.152 ======================= Grid point 362 (105/147) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 0.206 -0.265 -0.961) 1.018 1.861 ( 0.206 -0.265 0.961) 1.018 2.064 ( 2.822 -0.666 -2.252) 3.671 2.064 ( 2.822 -0.666 2.252) 3.671 2.344 ( 1.258 2.247 -3.228) 4.129 2.344 ( 1.258 2.247 3.228) 4.129 2.425 ( 1.375 1.987 -0.941) 2.593 2.425 ( 1.375 1.987 0.941) 2.593 2.635 ( 0.305 1.809 -0.879) 2.035 2.635 ( 0.305 1.809 0.879) 2.035 2.780 ( -0.704 -0.264 -2.646) 2.751 2.780 ( -0.704 -0.264 2.646) 2.751 2.869 ( -0.480 0.167 -0.451) 0.680 2.869 ( -0.480 0.167 0.451) 0.680 3.035 ( -0.306 -0.699 -2.623) 2.731 3.035 ( -0.306 -0.699 2.623) 2.731 3.151 ( -0.314 -0.149 -6.967) 6.976 3.151 ( -0.314 -0.149 6.967) 6.976 3.332 ( 0.476 -0.106 -2.446) 2.494 3.332 ( 0.476 -0.106 2.446) 2.494 3.476 ( 0.143 -2.231 -0.645) 2.326 3.476 ( 0.143 -2.231 0.645) 2.326 3.815 ( -0.084 0.767 -1.523) 1.707 3.815 ( -0.084 0.767 1.523) 1.707 4.291 ( 4.801 -1.789 -3.692) 6.315 4.291 ( 4.801 -1.789 3.692) 6.315 6.152 ( -0.230 0.996 -1.879) 2.139 6.152 ( -0.230 0.996 1.879) 2.139 6.672 ( 4.891 1.299 -2.848) 5.807 6.672 ( 4.891 1.299 2.848) 5.807 6.703 ( -0.142 0.227 -0.711) 0.760 6.703 ( -0.142 0.227 0.711) 0.760 6.836 ( -2.118 -1.111 -2.801) 3.683 6.836 ( -2.118 -1.111 2.801) 3.683 7.097 ( -1.157 0.869 -0.630) 1.578 7.097 ( -1.157 0.869 0.630) 1.578 7.246 ( 1.151 -1.307 -1.166) 2.095 7.246 ( 1.151 -1.307 1.166) 2.095 7.429 ( -1.550 1.152 -4.744) 5.122 7.429 ( -1.550 1.152 4.744) 5.122 7.778 ( -0.189 -0.387 -5.285) 5.302 7.778 ( -0.189 -0.387 5.285) 5.302 8.516 ( -0.370 1.686 -18.149) 18.231 8.516 ( -0.370 1.686 18.149) 18.231 8.641 ( -1.297 -0.206 -14.640) 14.699 8.641 ( -1.297 -0.206 14.640) 14.699 9.433 ( -0.841 -0.371 -1.877) 2.091 9.433 ( -0.841 -0.371 1.877) 2.091 ======================= Grid point 378 (106/147) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 18.349 0.000 -3.963) 18.772 1.226 ( 18.349 0.000 3.963) 18.772 1.404 ( 13.035 0.000 -12.535) 18.084 1.404 ( 13.035 0.000 12.535) 18.084 2.002 ( 1.918 0.000 -1.852) 2.666 2.002 ( 1.918 0.000 1.852) 2.666 2.148 ( 24.656 0.000 -17.608) 30.298 2.148 ( 24.656 0.000 17.608) 30.298 2.336 ( 4.113 0.000 -0.700) 4.172 2.336 ( 4.113 0.000 0.700) 4.172 2.429 ( 10.797 0.000 -0.320) 10.801 2.429 ( 10.797 0.000 0.320) 10.801 2.636 ( 6.312 0.000 -0.100) 6.312 2.636 ( 6.312 0.000 0.100) 6.312 2.761 ( 11.620 0.000 -3.686) 12.191 2.761 ( 11.620 0.000 3.686) 12.191 3.085 ( -1.490 -0.000 -0.461) 1.560 3.085 ( -1.490 -0.000 0.461) 1.560 3.279 ( -1.684 -0.000 -4.178) 4.505 3.279 ( -1.684 -0.000 4.178) 4.505 3.414 ( -2.034 -0.000 -0.476) 2.090 3.414 ( -2.034 -0.000 0.476) 2.090 3.832 ( -5.286 -0.000 -0.042) 5.286 3.832 ( -5.286 -0.000 0.042) 5.286 3.881 ( -4.398 -0.000 -1.533) 4.657 3.881 ( -4.398 -0.000 1.533) 4.657 6.145 ( 1.858 0.000 -0.210) 1.870 6.145 ( 1.858 0.000 0.210) 1.870 6.486 ( 13.553 0.000 -4.415) 14.254 6.486 ( 13.553 0.000 4.415) 14.254 6.634 ( 1.072 0.000 -0.595) 1.226 6.634 ( 1.072 0.000 0.595) 1.226 6.701 ( 7.479 0.000 -5.422) 9.238 6.701 ( 7.479 0.000 5.422) 9.238 7.039 ( 5.219 0.000 -2.828) 5.936 7.039 ( 5.219 0.000 2.828) 5.936 7.232 ( -1.074 -0.000 -0.514) 1.191 7.232 ( -1.074 -0.000 0.514) 1.191 7.373 ( 6.993 0.000 -1.264) 7.106 7.373 ( 6.993 0.000 1.264) 7.106 7.573 ( -5.051 -0.000 -6.476) 8.213 7.573 ( -5.051 -0.000 6.476) 8.213 8.755 ( -1.739 -0.000 -6.505) 6.734 8.755 ( -1.739 -0.000 6.505) 6.734 9.044 ( -10.355 -0.000 -11.701) 15.625 9.044 ( -10.355 -0.000 11.701) 15.625 9.577 ( -3.044 -0.000 -2.780) 4.123 9.577 ( -3.044 -0.000 2.780) 4.123 ======================= Grid point 380 (107/147) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 12.815 -0.209 -8.223) 15.228 1.529 ( 12.815 -0.209 8.223) 15.228 1.663 ( 13.636 -0.154 -0.896) 13.666 1.663 ( 13.636 -0.154 0.896) 13.666 2.027 ( 2.315 0.014 -1.693) 2.868 2.027 ( 2.315 0.014 1.693) 2.868 2.397 ( 4.360 2.550 -0.865) 5.124 2.397 ( 4.360 2.550 0.865) 5.124 2.511 ( 8.793 -0.521 -0.997) 8.865 2.511 ( 8.793 -0.521 0.997) 8.865 2.655 ( 11.773 -2.196 -7.601) 14.185 2.655 ( 11.773 -2.196 7.601) 14.185 2.794 ( 9.163 0.393 -4.083) 10.039 2.794 ( 9.163 0.393 4.083) 10.039 3.023 ( 13.580 0.219 -3.991) 14.155 3.023 ( 13.580 0.219 3.991) 14.155 3.073 ( 1.206 0.272 -0.924) 1.544 3.073 ( 1.206 0.272 0.924) 1.544 3.266 ( 0.820 -0.027 -2.080) 2.236 3.266 ( 0.820 -0.027 2.080) 2.236 3.385 ( 0.285 -0.257 -2.978) 3.002 3.385 ( 0.285 -0.257 2.978) 3.002 3.639 ( -11.297 0.014 -1.719) 11.427 3.639 ( -11.297 0.014 1.719) 11.427 3.882 ( 1.498 -0.146 -1.458) 2.096 3.882 ( 1.498 -0.146 1.458) 2.096 6.165 ( 1.591 -0.676 -0.189) 1.739 6.165 ( 1.591 -0.676 0.189) 1.739 6.505 ( -2.733 0.871 -4.240) 5.119 6.505 ( -2.733 0.871 4.240) 5.119 6.746 ( 4.351 0.364 -2.594) 5.079 6.746 ( 4.351 0.364 2.594) 5.079 6.788 ( 1.502 -0.187 -5.753) 5.949 6.788 ( 1.502 -0.187 5.753) 5.949 7.192 ( 6.217 4.806 -1.551) 8.009 7.192 ( 6.217 4.806 1.551) 8.009 7.266 ( 6.306 -3.889 -3.060) 8.016 7.266 ( 6.306 -3.889 3.060) 8.016 7.376 ( -6.441 -0.016 -2.077) 6.767 7.376 ( -6.441 -0.016 2.077) 6.767 7.585 ( 6.089 -0.414 -5.046) 7.919 7.585 ( 6.089 -0.414 5.046) 7.919 8.718 ( -2.031 0.605 -5.758) 6.135 8.718 ( -2.031 0.605 5.758) 6.135 8.879 ( -6.593 1.785 -9.997) 12.107 8.879 ( -6.593 1.785 9.997) 12.107 9.524 ( -2.838 -1.082 -1.517) 3.395 9.524 ( -2.838 -1.082 1.517) 3.395 ======================= Grid point 382 (108/147) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 8.546 -0.579 -7.264) 11.231 1.735 ( 8.546 -0.579 7.264) 11.231 1.854 ( 6.106 0.489 -0.656) 6.161 1.854 ( 6.106 0.489 0.656) 6.161 2.132 ( 8.551 0.126 -1.549) 8.691 2.132 ( 8.551 0.126 1.549) 8.691 2.459 ( 3.889 4.347 -0.825) 5.891 2.459 ( 3.889 4.347 0.825) 5.891 2.600 ( 2.551 -0.345 -2.330) 3.472 2.600 ( 2.551 -0.345 2.330) 3.472 2.831 ( 4.625 -0.993 -3.965) 6.173 2.831 ( 4.625 -0.993 3.965) 6.173 2.920 ( 4.288 -1.035 -1.170) 4.564 2.920 ( 4.288 -1.035 1.170) 4.564 3.051 ( -1.711 5.035 -0.191) 5.322 3.051 ( -1.711 5.035 0.191) 5.321 3.190 ( 1.996 1.720 -3.099) 4.068 3.190 ( 1.996 1.720 3.099) 4.068 3.278 ( 1.035 -0.322 -8.525) 8.594 3.278 ( 1.035 -0.322 8.525) 8.594 3.401 ( -6.362 -4.256 -4.992) 9.138 3.401 ( -6.362 -4.256 4.992) 9.138 3.616 ( 13.583 -3.566 -0.693) 14.061 3.616 ( 13.583 -3.566 0.693) 14.061 3.922 ( 3.134 0.269 -1.653) 3.554 3.922 ( 3.134 0.269 1.653) 3.554 6.203 ( 1.333 0.517 -0.655) 1.573 6.203 ( 1.333 0.517 0.655) 1.573 6.481 ( 1.747 0.814 -5.052) 5.407 6.481 ( 1.747 0.814 5.052) 5.407 6.743 ( -1.329 0.422 -5.640) 5.809 6.743 ( -1.329 0.422 5.640) 5.809 6.852 ( 3.192 0.648 -3.111) 4.504 6.852 ( 3.192 0.648 3.111) 4.504 7.191 ( -3.125 2.521 -3.045) 5.040 7.191 ( -3.125 2.521 3.045) 5.040 7.252 ( -3.988 -2.448 -1.364) 4.874 7.252 ( -3.988 -2.448 1.364) 4.874 7.427 ( 5.494 -0.340 -0.801) 5.563 7.427 ( 5.494 -0.340 0.801) 5.563 7.698 ( 4.793 -0.241 -3.408) 5.886 7.698 ( 4.793 -0.241 3.408) 5.886 8.666 ( -2.963 1.618 -5.987) 6.873 8.666 ( -2.963 1.618 5.987) 6.873 8.764 ( -4.443 2.075 -6.737) 8.332 8.764 ( -4.443 2.075 6.737) 8.332 9.481 ( -2.380 -1.254 -1.137) 2.921 9.481 ( -2.380 -1.254 1.137) 2.921 ======================= Grid point 384 (109/147) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 2.085 -0.436 -1.419) 2.559 1.838 ( 2.085 -0.436 1.419) 2.559 1.960 ( 5.933 -0.362 -2.491) 6.445 1.960 ( 5.933 -0.362 2.491) 6.445 2.292 ( 7.331 1.138 -0.865) 7.469 2.292 ( 7.331 1.138 0.865) 7.469 2.487 ( 1.767 5.919 -1.291) 6.310 2.487 ( 1.767 5.919 1.291) 6.310 2.639 ( 1.099 -1.062 -1.212) 1.950 2.639 ( 1.099 -1.062 1.212) 1.950 2.858 ( -1.711 1.164 -3.441) 4.016 2.858 ( -1.711 1.164 3.441) 4.016 2.905 ( -4.338 4.065 -1.078) 6.041 2.905 ( -4.338 4.065 1.078) 6.041 3.013 ( 1.369 0.122 -0.896) 1.640 3.013 ( 1.369 0.122 0.896) 1.640 3.166 ( -1.402 0.437 -6.499) 6.663 3.166 ( -1.402 0.437 6.499) 6.663 3.302 ( -0.262 -2.597 -5.217) 5.834 3.302 ( -0.262 -2.597 5.217) 5.834 3.386 ( 1.318 -5.371 -2.573) 6.100 3.386 ( 1.318 -5.371 2.573) 6.100 3.825 ( 4.425 1.627 -2.640) 5.403 3.825 ( 4.425 1.627 2.640) 5.403 4.063 ( 11.276 -3.332 -2.283) 11.978 4.063 ( 11.276 -3.332 2.283) 11.978 6.195 ( -0.950 1.901 -2.057) 2.958 6.195 ( -0.950 1.901 2.057) 2.958 6.565 ( 6.377 0.377 -4.641) 7.896 6.565 ( 6.377 0.377 4.641) 7.896 6.726 ( -0.148 1.118 -4.523) 4.661 6.726 ( -0.148 1.118 4.523) 4.661 6.862 ( -1.986 -0.374 -2.480) 3.199 6.862 ( -1.986 -0.374 2.480) 3.199 7.137 ( -0.442 1.290 -0.772) 1.567 7.137 ( -0.442 1.290 0.772) 1.567 7.213 ( -1.767 -1.793 -0.277) 2.532 7.213 ( -1.767 -1.793 0.277) 2.532 7.475 ( -0.148 0.456 -2.749) 2.790 7.475 ( -0.148 0.456 2.749) 2.790 7.761 ( 1.612 -0.353 -2.339) 2.862 7.761 ( 1.612 -0.353 2.339) 2.862 8.593 ( -3.111 2.520 -12.429) 13.057 8.593 ( -3.111 2.520 12.429) 13.057 8.685 ( -3.056 0.763 -10.489) 10.952 8.685 ( -3.056 0.763 10.489) 10.952 9.447 ( -1.749 -0.954 -1.546) 2.522 9.447 ( -1.749 -0.954 1.546) 2.522 ======================= Grid point 386 (110/147) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.455 -0.228 -0.804) 0.952 1.858 ( 0.455 -0.228 0.804) 0.952 2.056 ( 3.177 -0.588 -1.745) 3.672 2.056 ( 3.177 -0.588 1.745) 3.672 2.371 ( 1.328 2.326 -1.716) 3.181 2.371 ( 1.328 2.326 1.716) 3.181 2.456 ( -1.641 3.686 -1.629) 4.352 2.456 ( -1.641 3.686 1.629) 4.352 2.641 ( -1.614 -0.746 -0.710) 1.914 2.641 ( -1.614 -0.746 0.710) 1.914 2.781 ( -1.619 0.540 -1.911) 2.562 2.781 ( -1.619 0.540 1.911) 2.562 2.870 ( -0.650 0.038 -0.536) 0.844 2.870 ( -0.650 0.038 0.536) 0.844 3.031 ( 0.578 -0.091 -2.528) 2.595 3.031 ( 0.578 -0.091 2.528) 2.595 3.153 ( 0.075 0.472 -7.322) 7.338 3.153 ( 0.075 0.472 7.322) 7.338 3.315 ( -0.214 -3.105 -3.989) 5.060 3.315 ( -0.214 -3.105 3.989) 5.060 3.442 ( 1.699 -3.147 -2.331) 4.269 3.442 ( 1.699 -3.147 2.331) 4.269 3.844 ( 0.699 4.010 -3.046) 5.085 3.844 ( 0.699 4.010 3.046) 5.085 4.267 ( 6.423 -2.465 -3.353) 7.653 4.267 ( 6.423 -2.465 3.353) 7.653 6.164 ( -1.237 1.062 -2.228) 2.761 6.164 ( -1.237 1.062 2.228) 2.761 6.664 ( 1.607 -1.625 -6.823) 7.196 6.664 ( 1.607 -1.625 6.823) 7.196 6.725 ( 1.709 2.711 -5.528) 6.389 6.725 ( 1.709 2.711 5.528) 6.389 6.824 ( -1.304 -1.034 -2.492) 2.996 6.824 ( -1.304 -1.034 2.492) 2.996 7.105 ( -2.073 0.691 -0.684) 2.290 7.105 ( -2.073 0.691 0.684) 2.290 7.234 ( 2.398 -0.838 -0.903) 2.696 7.234 ( 2.398 -0.838 0.903) 2.696 7.440 ( -2.277 0.867 -4.732) 5.323 7.440 ( -2.277 0.867 4.732) 5.323 7.774 ( 0.116 -0.356 -4.579) 4.594 7.774 ( 0.116 -0.356 4.579) 4.594 8.531 ( -2.250 1.076 -17.129) 17.309 8.531 ( -2.250 1.076 17.129) 17.309 8.641 ( -1.023 0.278 -14.289) 14.328 8.641 ( -1.023 0.278 14.289) 14.328 9.428 ( -0.470 -0.444 -1.739) 1.855 9.428 ( -0.470 -0.444 1.739) 1.855 ======================= Grid point 388 (111/147) ======================= q-point: (-0.54 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 0.070 0.230 -1.079) 1.105 1.864 ( 0.070 0.230 1.079) 1.105 2.070 ( -2.169 0.467 -2.542) 3.374 2.070 ( -2.169 0.467 2.542) 3.374 2.328 ( -3.370 -0.582 -3.780) 5.098 2.328 ( -3.370 -0.582 3.780) 5.098 2.409 ( -3.168 -0.911 -0.659) 3.361 2.409 ( -3.168 -0.911 0.659) 3.361 2.605 ( -2.655 -3.309 -1.019) 4.363 2.605 ( -2.655 -3.309 1.019) 4.363 2.784 ( 1.038 0.402 -3.274) 3.458 2.784 ( 1.038 0.402 3.274) 3.458 2.867 ( 0.354 -0.210 -0.279) 0.497 2.867 ( 0.354 -0.210 0.279) 0.497 3.045 ( 1.083 0.914 -2.151) 2.576 3.045 ( 1.083 0.914 2.151) 2.576 3.156 ( 0.603 0.938 -6.536) 6.630 3.156 ( 0.603 0.938 6.536) 6.630 3.321 ( -0.738 -2.054 -3.233) 3.901 3.321 ( -0.738 -2.054 3.233) 3.901 3.482 ( 1.298 -0.806 -2.110) 2.605 3.482 ( 1.298 -0.806 2.110) 2.605 3.831 ( 0.361 3.389 -2.499) 4.226 3.831 ( 0.361 3.389 2.499) 4.226 4.306 ( -3.085 0.813 -3.664) 4.859 4.306 ( -3.085 0.813 3.664) 4.859 6.143 ( -0.753 -0.698 -1.759) 2.036 6.143 ( -0.753 -0.698 1.759) 2.036 6.643 ( -4.426 -3.024 -2.207) 5.797 6.643 ( -4.426 -3.024 2.207) 5.797 6.713 ( -1.444 1.256 -4.404) 4.802 6.713 ( -1.444 1.256 4.404) 4.802 6.848 ( 2.589 1.067 -2.619) 3.834 6.848 ( 2.589 1.067 2.619) 3.834 7.087 ( 0.254 -0.844 -0.474) 1.001 7.087 ( 0.254 -0.844 0.474) 1.001 7.262 ( 0.275 1.617 -1.379) 2.143 7.262 ( 0.275 1.617 1.379) 2.143 7.415 ( 0.330 -1.296 -4.921) 5.100 7.415 ( 0.330 -1.296 4.921) 5.100 7.782 ( 0.650 0.329 -5.958) 6.003 7.782 ( 0.650 0.329 5.958) 6.003 8.496 ( -1.458 -1.788 -18.994) 19.134 8.496 ( -1.458 -1.788 18.994) 19.134 8.645 ( 1.472 0.532 -14.824) 14.906 8.645 ( 1.472 0.532 14.824) 14.906 9.436 ( 1.222 0.198 -2.002) 2.354 9.436 ( 1.222 0.198 2.002) 2.354 ======================= Grid point 390 (112/147) ======================= q-point: (-0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -1.588 0.657 -1.335) 2.176 1.851 ( -1.588 0.657 1.335) 2.176 1.972 ( -7.092 0.611 -2.940) 7.701 1.972 ( -7.092 0.611 2.940) 7.701 2.257 ( -6.140 -2.140 -1.662) 6.711 2.257 ( -6.140 -2.140 1.662) 6.711 2.357 ( -3.005 -4.702 -2.320) 6.043 2.357 ( -3.005 -4.702 2.320) 6.043 2.586 ( -2.173 -5.827 -1.193) 6.332 2.586 ( -2.173 -5.827 1.193) 6.332 2.805 ( 1.203 -0.378 -3.958) 4.154 2.805 ( 1.203 -0.378 3.958) 4.154 2.882 ( 1.277 0.062 -1.928) 2.313 2.882 ( 1.277 0.062 1.928) 2.313 3.048 ( -0.622 1.917 -1.174) 2.333 3.048 ( -0.622 1.917 1.174) 2.333 3.166 ( 0.919 0.590 -5.124) 5.239 3.166 ( 0.919 0.590 5.124) 5.239 3.309 ( -1.311 -0.820 -4.424) 4.687 3.309 ( -1.311 -0.820 4.424) 4.687 3.496 ( 0.624 2.411 -3.047) 3.935 3.496 ( 0.624 2.411 3.047) 3.935 3.823 ( 0.062 1.988 -1.465) 2.470 3.823 ( 0.062 1.988 1.465) 2.470 4.146 ( -11.745 3.653 -3.054) 12.674 4.146 ( -11.745 3.653 3.054) 12.674 6.148 ( 0.578 -1.994 -1.333) 2.467 6.148 ( 0.578 -1.994 1.333) 2.467 6.540 ( -6.634 -1.835 -3.910) 7.916 6.540 ( -6.634 -1.835 3.910) 7.916 6.704 ( 0.567 -0.532 -3.176) 3.270 6.704 ( 0.567 -0.532 3.176) 3.270 6.869 ( -0.336 0.219 -1.894) 1.936 6.869 ( -0.336 0.219 1.894) 1.936 7.104 ( 0.635 -1.514 -1.553) 2.260 7.104 ( 0.635 -1.514 1.553) 2.260 7.262 ( 1.915 2.518 -0.640) 3.228 7.262 ( 1.915 2.518 0.640) 3.228 7.448 ( 0.846 -2.090 -3.220) 3.931 7.448 ( 0.846 -2.090 3.220) 3.931 7.777 ( -1.410 1.064 -5.473) 5.751 7.777 ( -1.410 1.064 5.473) 5.751 8.505 ( 0.737 -4.569 -18.776) 19.338 8.505 ( 0.737 -4.569 18.776) 19.338 8.681 ( 2.301 0.262 -13.300) 13.500 8.681 ( 2.301 0.262 13.300) 13.500 9.470 ( 2.584 0.978 -2.378) 3.646 9.470 ( 2.584 0.978 2.378) 3.646 ======================= Grid point 392 (113/147) ======================= q-point: (-0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -8.615 1.248 -6.621) 10.937 1.757 ( -8.615 1.248 6.621) 10.937 1.836 ( -6.694 -0.971 -2.319) 7.151 1.836 ( -6.694 -0.971 2.319) 7.151 2.127 ( -7.090 -0.242 -1.860) 7.334 2.127 ( -7.090 -0.242 1.860) 7.334 2.331 ( -3.327 -5.889 -1.613) 6.954 2.331 ( -3.327 -5.889 1.613) 6.954 2.573 ( -2.609 -4.533 -3.016) 6.038 2.573 ( -2.609 -4.533 3.016) 6.038 2.806 ( -3.024 -2.408 -6.569) 7.622 2.806 ( -3.024 -2.408 6.569) 7.622 2.932 ( 2.157 -1.485 -0.893) 2.767 2.932 ( 2.157 -1.485 0.893) 2.767 2.986 ( -3.348 2.213 -0.414) 4.035 2.986 ( -3.348 2.213 0.414) 4.035 3.176 ( -0.359 0.295 -2.425) 2.469 3.176 ( -0.359 0.295 2.425) 2.469 3.287 ( -0.767 0.307 -7.471) 7.516 3.287 ( -0.767 0.307 7.471) 7.516 3.486 ( -0.466 2.994 -5.140) 5.967 3.486 ( -0.466 2.994 5.140) 5.967 3.738 ( -10.029 6.006 -0.484) 11.700 3.738 ( -10.029 6.006 0.484) 11.700 3.920 ( -5.172 0.592 -1.447) 5.403 3.920 ( -5.172 0.592 1.447) 5.403 6.182 ( 1.610 -1.241 -0.972) 2.253 6.182 ( 1.610 -1.241 0.972) 2.253 6.446 ( -3.579 -2.240 -4.452) 6.135 6.446 ( -3.579 -2.240 4.452) 6.135 6.729 ( 1.353 -0.646 -4.448) 4.694 6.729 ( 1.353 -0.646 4.448) 4.694 6.834 ( -2.965 -0.740 -2.178) 3.753 6.834 ( -2.965 -0.740 2.178) 3.753 7.136 ( 0.796 -2.328 -3.413) 4.207 7.136 ( 0.796 -2.328 3.413) 4.207 7.304 ( 3.522 2.186 -1.298) 4.343 7.304 ( 3.522 2.186 1.298) 4.343 7.431 ( -3.785 -0.356 -2.130) 4.357 7.431 ( -3.785 -0.356 2.130) 4.357 7.710 ( -4.794 0.831 -4.832) 6.857 7.710 ( -4.794 0.831 4.832) 6.857 8.571 ( 2.702 -6.342 -15.534) 16.995 8.571 ( 2.702 -6.342 15.534) 16.995 8.730 ( 2.875 -0.566 -9.407) 9.853 8.730 ( 2.875 -0.566 9.407) 9.853 9.520 ( 3.309 1.848 -2.614) 4.604 9.520 ( 3.309 1.848 2.614) 4.604 ======================= Grid point 394 (114/147) ======================= q-point: (-0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -13.147 0.665 -3.604) 13.649 1.540 ( -13.147 0.665 3.604) 13.649 1.680 ( -9.825 1.613 -3.065) 10.417 1.680 ( -9.825 1.613 3.065) 10.417 2.021 ( -4.209 -0.756 -1.647) 4.583 2.021 ( -4.209 -0.756 1.647) 4.583 2.293 ( -3.800 -5.345 -0.228) 6.562 2.293 ( -3.800 -5.345 0.228) 6.562 2.519 ( -5.314 -0.913 -3.586) 6.475 2.519 ( -5.314 -0.913 3.586) 6.475 2.702 ( -8.506 -1.056 -3.251) 9.167 2.702 ( -8.506 -1.056 3.251) 9.167 2.808 ( -10.576 3.521 -2.737) 11.478 2.808 ( -10.576 3.521 2.737) 11.478 2.995 ( -4.921 -2.004 -4.395) 6.896 2.995 ( -4.921 -2.004 4.395) 6.896 3.085 ( -7.891 1.983 -1.130) 8.215 3.085 ( -7.891 1.983 1.130) 8.215 3.270 ( -1.198 0.280 -5.152) 5.296 3.270 ( -1.198 0.280 5.152) 5.296 3.404 ( -0.996 1.737 -4.120) 4.581 3.404 ( -0.996 1.737 4.120) 4.581 3.639 ( 4.171 0.055 -2.344) 4.785 3.639 ( 4.171 0.055 2.344) 4.785 3.890 ( -0.145 0.486 -1.053) 1.168 3.890 ( -0.145 0.486 1.053) 1.168 6.198 ( -0.048 1.670 -0.998) 1.946 6.198 ( -0.048 1.670 0.998) 1.946 6.449 ( 1.672 -3.927 -4.037) 5.875 6.449 ( 1.672 -3.927 4.037) 5.875 6.728 ( -2.964 -0.968 -2.851) 4.225 6.728 ( -2.964 -0.968 2.851) 4.225 6.798 ( -0.745 0.615 -5.769) 5.850 6.798 ( -0.745 0.615 5.769) 5.850 7.077 ( -10.338 -4.558 -0.953) 11.338 7.077 ( -10.338 -4.558 0.953) 11.338 7.310 ( -3.543 -0.111 -5.748) 6.753 7.310 ( -3.543 -0.111 5.748) 6.753 7.409 ( 4.925 2.927 -1.387) 5.895 7.409 ( 4.925 2.927 1.387) 5.895 7.602 ( -5.340 0.743 -4.332) 6.917 7.602 ( -5.340 0.743 4.332) 6.917 8.661 ( 2.843 -5.280 -6.439) 8.799 8.661 ( 2.843 -5.280 6.439) 8.799 8.809 ( 4.894 -2.635 -2.062) 5.929 8.809 ( 4.894 -2.635 2.062) 5.929 9.575 ( 3.840 2.800 -2.659) 5.446 9.575 ( 3.840 2.800 2.659) 5.446 ======================= Grid point 396 (115/147) ======================= q-point: (-0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -15.682 2.617 -5.335) 16.771 1.252 ( -15.682 2.617 5.335) 16.771 1.464 ( -10.709 4.889 -11.663) 16.571 1.464 ( -10.709 4.889 11.663) 16.571 1.952 ( -5.470 -3.058 -1.759) 6.509 1.952 ( -5.470 -3.058 1.759) 6.509 2.211 ( -10.338 1.189 -4.817) 11.467 2.211 ( -10.338 1.189 4.817) 11.467 2.354 ( -8.239 1.500 -1.950) 8.598 2.354 ( -8.239 1.500 1.950) 8.598 2.463 ( -15.259 5.478 -8.041) 18.097 2.463 ( -15.259 5.478 8.041) 18.097 2.597 ( -6.946 -3.240 -1.690) 7.849 2.597 ( -6.946 -3.240 1.690) 7.849 2.753 ( -12.099 -0.733 -4.382) 12.889 2.753 ( -12.099 -0.733 4.382) 12.889 3.057 ( 0.154 -1.889 -1.957) 2.724 3.057 ( 0.154 -1.889 1.957) 2.724 3.278 ( 1.636 -0.065 -3.907) 4.236 3.278 ( 1.636 -0.065 3.907) 4.236 3.438 ( 3.061 1.656 -2.898) 4.529 3.438 ( 3.061 1.656 2.898) 4.529 3.779 ( 7.069 -5.182 -2.802) 9.202 3.779 ( 7.069 -5.182 2.802) 9.202 3.891 ( 1.060 1.444 -1.165) 2.137 3.891 ( 1.060 1.444 1.165) 2.137 6.155 ( -5.959 0.459 -0.230) 5.981 6.155 ( -5.959 0.459 0.230) 5.981 6.451 ( -9.190 -3.178 -0.350) 9.731 6.451 ( -9.190 -3.178 0.350) 9.731 6.654 ( -1.972 0.800 -0.982) 2.344 6.654 ( -1.972 0.800 0.982) 2.344 6.705 ( -6.357 1.485 -5.621) 8.615 6.705 ( -6.357 1.485 5.621) 8.615 6.946 ( -3.090 -5.916 -2.394) 7.091 6.946 ( -3.090 -5.916 2.394) 7.091 7.265 ( -1.207 0.751 -5.063) 5.259 7.265 ( -1.207 0.751 5.063) 5.259 7.395 ( -5.421 2.805 -0.835) 6.160 7.395 ( -5.421 2.805 0.835) 6.160 7.590 ( 4.798 1.082 -5.428) 7.325 7.590 ( 4.798 1.082 5.428) 7.325 8.728 ( 2.027 -2.805 -3.335) 4.806 8.728 ( 2.027 -2.805 3.335) 4.806 8.956 ( 8.139 -5.806 -9.602) 13.862 8.956 ( 8.139 -5.806 9.602) 13.862 9.634 ( 4.144 3.830 -2.662) 6.239 9.634 ( 4.144 3.830 2.662) 6.239 ======================= Grid point 398 (116/147) ======================= q-point: (-0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -11.647 7.019 -12.952) 18.780 0.951 ( -11.647 7.019 12.952) 18.780 1.186 ( -15.794 8.398 -14.183) 22.829 1.186 ( -15.794 8.398 14.183) 22.829 1.736 ( -14.021 3.882 -20.086) 24.801 1.736 ( -14.021 3.882 20.086) 24.801 2.000 ( -4.777 2.072 -7.041) 8.757 2.000 ( -4.777 2.072 7.041) 8.757 2.204 ( -7.740 2.143 -7.852) 11.231 2.204 ( -7.740 2.143 7.852) 11.231 2.320 ( -0.444 -2.660 -3.333) 4.287 2.320 ( -0.444 -2.660 3.333) 4.287 2.506 ( -5.053 -3.071 -2.487) 6.415 2.506 ( -5.053 -3.071 2.487) 6.415 2.590 ( -5.448 -1.282 -3.040) 6.370 2.590 ( -5.448 -1.282 3.040) 6.370 3.083 ( 0.938 -3.508 -1.561) 3.953 3.083 ( 0.938 -3.508 1.561) 3.953 3.315 ( 1.818 -0.304 -4.962) 5.293 3.315 ( 1.818 -0.304 4.962) 5.293 3.477 ( 2.162 2.998 -2.577) 4.506 3.477 ( 2.162 2.998 2.577) 4.506 3.892 ( 3.238 0.911 -2.581) 4.240 3.892 ( 3.238 0.911 2.581) 4.240 3.956 ( 4.381 -5.572 -3.622) 7.960 3.956 ( 4.381 -5.572 3.622) 7.960 5.776 ( -30.642 -1.995 -5.189) 31.143 5.776 ( -30.642 -1.995 5.189) 31.143 6.347 ( 1.570 0.647 -1.013) 1.977 6.347 ( 1.570 0.647 1.013) 1.977 6.581 ( -5.158 3.329 -3.918) 7.283 6.581 ( -5.158 3.329 3.918) 7.283 6.680 ( 1.156 1.745 -2.403) 3.187 6.680 ( 1.156 1.745 2.403) 3.187 6.962 ( 1.275 -4.595 -4.780) 6.752 6.962 ( 1.275 -4.595 4.780) 6.752 7.206 ( -5.984 -0.288 -2.519) 6.499 7.206 ( -5.984 -0.288 2.519) 6.499 7.312 ( 0.295 3.006 -5.695) 6.447 7.312 ( 0.295 3.006 5.695) 6.447 7.673 ( 3.583 1.007 -6.193) 7.225 7.673 ( 3.583 1.007 6.193) 7.225 8.772 ( 1.235 -1.641 -6.455) 6.774 8.772 ( 1.235 -1.641 6.455) 6.774 9.169 ( 8.863 -9.253 -9.674) 16.054 9.169 ( 8.863 -9.253 9.674) 16.054 9.684 ( 3.363 4.865 -2.805) 6.546 9.684 ( 3.363 4.865 2.805) 6.546 ======================= Grid point 400 (117/147) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -0.000 9.826 -17.732) 20.272 0.793 ( -0.000 9.826 17.732) 20.272 0.899 ( -0.000 9.329 -19.209) 21.354 0.899 ( -0.000 9.329 19.209) 21.354 1.580 ( -0.000 3.833 -32.304) 32.530 1.580 ( -0.000 3.833 32.304) 32.530 1.946 ( -0.000 0.113 -7.242) 7.242 1.946 ( -0.000 0.113 7.242) 7.242 2.128 ( -0.000 0.537 -5.831) 5.856 2.128 ( -0.000 0.537 5.831) 5.856 2.332 ( 0.000 -1.337 -2.398) 2.745 2.332 ( 0.000 -1.337 2.398) 2.745 2.468 ( 0.000 -2.628 -5.964) 6.517 2.468 ( 0.000 -2.628 5.964) 6.517 2.547 ( 0.000 -1.136 -0.720) 1.345 2.547 ( 0.000 -1.136 0.720) 1.345 3.118 ( 0.000 -4.144 -1.929) 4.571 3.118 ( 0.000 -4.144 1.929) 4.571 3.338 ( 0.000 -0.390 -6.229) 6.241 3.338 ( 0.000 -0.390 6.229) 6.241 3.480 ( -0.000 3.604 -2.385) 4.322 3.480 ( -0.000 3.604 2.385) 4.322 3.932 ( -0.000 1.211 -2.811) 3.061 3.932 ( -0.000 1.211 2.811) 3.061 4.035 ( 0.000 -5.312 -4.173) 6.755 4.035 ( 0.000 -5.312 4.173) 6.755 5.386 ( -0.000 1.795 -1.625) 2.421 5.386 ( -0.000 1.795 1.625) 2.421 6.413 ( 0.000 -4.153 -2.412) 4.802 6.413 ( 0.000 -4.153 2.412) 4.802 6.468 ( -0.000 7.532 -4.599) 8.825 6.468 ( -0.000 7.532 4.599) 8.825 6.675 ( -0.000 1.441 -3.137) 3.452 6.675 ( -0.000 1.441 3.137) 3.452 7.020 ( 0.000 -3.429 -5.149) 6.186 7.020 ( 0.000 -3.429 5.149) 6.186 7.118 ( -0.000 0.858 -2.547) 2.688 7.118 ( -0.000 0.858 2.547) 2.688 7.314 ( -0.000 1.208 -5.409) 5.542 7.314 ( -0.000 1.208 5.409) 5.542 7.704 ( -0.000 0.781 -6.280) 6.329 7.704 ( -0.000 0.781 6.280) 6.329 8.791 ( 0.000 -1.014 -7.313) 7.383 8.791 ( 0.000 -1.014 7.313) 7.383 9.328 ( 0.000 -10.465 -5.623) 11.880 9.328 ( 0.000 -10.465 5.623) 11.880 9.692 ( -0.000 5.347 -3.771) 6.542 9.692 ( -0.000 5.347 3.771) 6.542 ======================= Grid point 406 (118/147) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.588 0.000 -7.312) 11.280 1.732 ( 8.588 0.000 7.312) 11.280 1.857 ( 5.884 0.000 -0.259) 5.889 1.857 ( 5.884 0.000 0.259) 5.889 2.132 ( 8.865 0.000 -1.534) 8.997 2.132 ( 8.865 0.000 1.534) 8.997 2.485 ( 4.077 0.000 -0.848) 4.164 2.485 ( 4.077 0.000 0.848) 4.164 2.597 ( 2.114 0.000 -1.234) 2.448 2.597 ( 2.114 0.000 1.234) 2.448 2.823 ( 5.297 0.000 -2.601) 5.902 2.823 ( 5.297 0.000 2.601) 5.902 2.914 ( 3.927 0.000 -0.110) 3.928 2.914 ( 3.927 0.000 0.110) 3.928 3.081 ( -0.203 -0.000 -0.664) 0.694 3.081 ( -0.203 -0.000 0.664) 0.694 3.205 ( 3.450 0.000 -2.999) 4.571 3.205 ( 3.450 0.000 2.999) 4.571 3.276 ( 0.997 0.000 -8.733) 8.789 3.276 ( 0.997 0.000 8.733) 8.789 3.372 ( -10.112 -0.000 -4.053) 10.894 3.372 ( -10.112 -0.000 4.053) 10.894 3.596 ( 14.496 0.000 -0.043) 14.497 3.596 ( 14.496 0.000 0.043) 14.497 3.923 ( 2.975 0.000 -1.692) 3.423 3.923 ( 2.975 0.000 1.692) 3.423 6.205 ( 1.908 0.000 -0.599) 1.999 6.205 ( 1.908 0.000 0.599) 1.999 6.486 ( 1.426 0.000 -5.109) 5.304 6.486 ( 1.426 0.000 5.109) 5.304 6.745 ( -1.294 -0.000 -5.822) 5.964 6.745 ( -1.294 -0.000 5.822) 5.964 6.856 ( 3.211 0.000 -3.239) 4.561 6.856 ( 3.211 0.000 3.239) 4.561 7.212 ( -4.845 -0.000 -3.072) 5.737 7.212 ( -4.845 -0.000 3.072) 5.737 7.231 ( -2.776 -0.000 -0.648) 2.851 7.231 ( -2.776 -0.000 0.648) 2.851 7.425 ( 5.678 0.000 -0.587) 5.708 7.425 ( 5.678 0.000 0.587) 5.708 7.697 ( 4.863 0.000 -3.192) 5.817 7.697 ( 4.863 0.000 3.192) 5.817 8.674 ( -2.908 -0.000 -6.588) 7.201 8.674 ( -2.908 -0.000 6.588) 7.201 8.777 ( -4.819 -0.000 -8.030) 9.365 8.777 ( -4.819 -0.000 8.030) 9.365 9.473 ( -2.186 -0.000 -0.126) 2.189 9.473 ( -2.186 -0.000 0.126) 2.189 ======================= Grid point 408 (119/147) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 2.203 -0.157 -1.404) 2.617 1.834 ( 2.203 -0.157 1.404) 2.617 1.958 ( 5.721 -0.127 -2.177) 6.123 1.958 ( 5.721 -0.127 2.177) 6.123 2.301 ( 7.510 0.431 -0.601) 7.547 2.301 ( 7.510 0.431 0.601) 7.547 2.542 ( 2.370 3.451 -0.805) 4.264 2.542 ( 2.370 3.451 0.805) 4.264 2.619 ( 0.023 -1.823 -0.517) 1.895 2.619 ( 0.023 -1.823 0.517) 1.895 2.861 ( -0.409 -0.081 -3.096) 3.124 2.861 ( -0.409 -0.081 3.096) 3.124 2.938 ( -3.826 1.203 -0.623) 4.058 2.938 ( -3.826 1.203 0.623) 4.058 3.036 ( -1.664 2.851 -0.279) 3.313 3.036 ( -1.664 2.851 0.279) 3.313 3.173 ( -2.440 0.690 -5.187) 5.774 3.173 ( -2.440 0.690 5.187) 5.774 3.254 ( -1.715 -4.470 -5.560) 7.337 3.254 ( -1.715 -4.470 5.560) 7.337 3.353 ( 3.819 -1.021 -4.832) 6.243 3.353 ( 3.819 -1.021 4.832) 6.243 3.841 ( 7.085 0.982 -3.139) 7.811 3.841 ( 7.085 0.982 3.139) 7.811 4.036 ( 10.038 -1.458 -1.087) 10.202 4.036 ( 10.038 -1.458 1.087) 10.202 6.211 ( -1.041 0.749 -2.276) 2.612 6.211 ( -1.041 0.749 2.276) 2.612 6.567 ( 6.114 0.052 -4.683) 7.702 6.567 ( 6.114 0.052 4.683) 7.702 6.735 ( 0.295 0.492 -4.933) 4.966 6.735 ( 0.295 0.492 4.933) 4.966 6.858 ( -2.850 -0.180 -2.789) 3.991 6.858 ( -2.850 -0.180 2.789) 3.991 7.148 ( -0.268 0.612 -0.266) 0.719 7.148 ( -0.268 0.612 0.266) 0.719 7.198 ( -1.710 -0.792 -0.217) 1.897 7.198 ( -1.710 -0.792 0.217) 1.897 7.477 ( 0.164 0.090 -2.744) 2.750 7.477 ( 0.164 0.090 2.744) 2.750 7.758 ( 1.580 -0.091 -0.821) 1.783 7.758 ( 1.580 -0.091 0.821) 1.783 8.610 ( -3.451 0.691 -9.593) 10.218 8.610 ( -3.451 0.691 9.593) 10.218 8.694 ( -3.588 0.540 -8.979) 9.685 8.694 ( -3.588 0.540 8.979) 9.685 9.439 ( -1.487 -0.382 -1.131) 1.907 9.439 ( -1.487 -0.382 1.131) 1.907 ======================= Grid point 410 (120/147) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.625 -0.130 -0.659) 0.917 1.856 ( 0.625 -0.130 0.659) 0.917 2.051 ( 3.310 -0.330 -0.987) 3.469 2.051 ( 3.310 -0.330 0.987) 3.469 2.391 ( 2.089 1.199 -0.489) 2.458 2.391 ( 2.089 1.199 0.489) 2.458 2.504 ( -4.242 4.706 -1.743) 6.571 2.504 ( -4.242 4.706 1.743) 6.571 2.620 ( -2.207 -2.900 -0.513) 3.680 2.620 ( -2.207 -2.900 0.513) 3.680 2.790 ( -3.597 0.832 -1.252) 3.898 2.790 ( -3.597 0.832 1.252) 3.898 2.869 ( -0.904 -0.148 -0.427) 1.011 2.869 ( -0.904 -0.148 0.427) 1.011 3.034 ( 0.962 0.514 -1.674) 1.998 3.034 ( 0.962 0.514 1.674) 1.998 3.161 ( 0.853 1.115 -7.557) 7.686 3.161 ( 0.853 1.115 7.557) 7.686 3.269 ( -0.142 -4.656 -5.121) 6.923 3.269 ( -0.142 -4.656 5.121) 6.923 3.418 ( 2.505 -1.212 -3.884) 4.778 3.418 ( 2.505 -1.212 3.884) 4.778 3.889 ( 1.119 3.467 -4.560) 5.836 3.889 ( 1.119 3.467 4.560) 5.836 4.241 ( 7.775 -2.049 -2.725) 8.490 4.241 ( 7.775 -2.049 2.725) 8.490 6.174 ( -2.015 0.713 -2.621) 3.382 6.174 ( -2.015 0.713 2.621) 3.382 6.648 ( 0.190 -1.188 -6.673) 6.780 6.648 ( 0.190 -1.188 6.673) 6.780 6.751 ( 1.791 1.916 -6.926) 7.406 6.751 ( 1.791 1.916 6.926) 7.406 6.813 ( -0.391 -0.833 -1.815) 2.036 6.813 ( -0.391 -0.833 1.815) 2.036 7.111 ( -2.773 0.368 -0.585) 2.858 7.111 ( -2.773 0.368 0.585) 2.858 7.228 ( 3.299 -0.381 -0.720) 3.398 7.228 ( 3.299 -0.381 0.720) 3.398 7.448 ( -2.603 0.470 -4.752) 5.438 7.448 ( -2.603 0.470 4.752) 5.438 7.771 ( 0.252 -0.217 -3.993) 4.006 7.771 ( 0.252 -0.217 3.993) 4.006 8.539 ( -3.526 0.425 -16.370) 16.751 8.539 ( -3.526 0.425 16.370) 16.751 8.646 ( -0.924 0.396 -14.010) 14.046 8.646 ( -0.924 0.396 14.010) 14.046 9.424 ( -0.190 -0.309 -1.617) 1.657 9.424 ( -0.190 -0.309 1.617) 1.657 ======================= Grid point 412 (121/147) ======================= q-point: (-0.62 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 0.303 0.147 -1.141) 1.190 1.866 ( 0.303 0.147 1.141) 1.190 2.073 ( -1.447 0.152 -2.744) 3.106 2.073 ( -1.447 0.152 2.744) 3.106 2.331 ( -6.744 0.976 -3.315) 7.578 2.331 ( -6.744 0.976 3.315) 7.578 2.404 ( -3.799 -0.103 -0.736) 3.871 2.404 ( -3.799 -0.103 0.736) 3.871 2.566 ( -4.204 -3.566 -0.990) 5.601 2.566 ( -4.204 -3.566 0.990) 5.601 2.788 ( 1.696 0.166 -3.758) 4.126 2.788 ( 1.696 0.166 3.758) 4.126 2.864 ( 0.270 -0.211 -0.142) 0.370 2.864 ( 0.270 -0.211 0.142) 0.370 3.054 ( 1.459 0.792 -1.414) 2.180 3.054 ( 1.459 0.792 1.414) 2.180 3.172 ( 0.917 1.943 -6.022) 6.393 3.172 ( 0.917 1.943 6.022) 6.393 3.289 ( -0.214 -3.596 -4.183) 5.520 3.289 ( -0.214 -3.596 4.183) 5.520 3.469 ( 2.182 -1.241 -3.250) 4.106 3.469 ( 2.182 -1.241 3.250) 4.106 3.875 ( -0.056 3.972 -4.425) 5.947 3.875 ( -0.056 3.972 4.425) 5.947 4.310 ( -1.491 0.083 -3.363) 3.679 4.310 ( -1.491 0.083 3.363) 3.679 6.137 ( -1.523 -0.368 -1.848) 2.423 6.137 ( -1.523 -0.368 1.848) 2.423 6.613 ( -4.024 -2.267 -2.425) 5.217 6.613 ( -4.024 -2.267 2.425) 5.217 6.725 ( -2.449 0.810 -4.449) 5.143 6.725 ( -2.449 0.810 4.449) 5.143 6.858 ( 2.686 0.798 -2.352) 3.659 6.858 ( 2.686 0.798 2.352) 3.659 7.079 ( -0.459 -0.620 -0.415) 0.876 7.079 ( -0.459 -0.620 0.415) 0.876 7.280 ( 1.835 1.513 -1.493) 2.808 7.280 ( 1.835 1.513 1.493) 2.808 7.401 ( -1.314 -1.184 -5.408) 5.690 7.401 ( -1.314 -1.184 5.408) 5.690 7.785 ( 1.135 0.215 -6.495) 6.597 7.785 ( 1.135 0.215 6.495) 6.597 8.478 ( -2.800 -1.320 -19.546) 19.789 8.478 ( -2.800 -1.320 19.546) 19.789 8.651 ( 1.472 0.504 -14.849) 14.930 8.651 ( 1.472 0.504 14.849) 14.930 9.438 ( 1.536 0.056 -2.098) 2.601 9.438 ( 1.536 0.056 2.098) 2.601 ======================= Grid point 414 (122/147) ======================= q-point: (-0.54 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -1.317 0.543 -1.122) 1.813 1.857 ( -1.317 0.543 1.122) 1.813 1.978 ( -7.931 0.536 -2.557) 8.350 1.978 ( -7.931 0.536 2.557) 8.350 2.228 ( -5.006 -2.953 -0.776) 5.864 2.228 ( -5.006 -2.953 0.776) 5.864 2.322 ( -4.442 -1.508 -1.541) 4.937 2.322 ( -4.442 -1.508 1.541) 4.937 2.517 ( -3.636 -6.184 -1.492) 7.327 2.517 ( -3.636 -6.184 1.492) 7.327 2.809 ( 0.595 0.774 -4.618) 4.720 2.809 ( 0.595 0.774 4.618) 4.720 2.883 ( 1.494 0.032 -2.133) 2.604 2.883 ( 1.494 0.032 2.133) 2.604 3.066 ( -0.276 1.355 -1.583) 2.102 3.066 ( -0.276 1.355 1.583) 2.102 3.177 ( 0.727 1.356 -3.897) 4.190 3.177 ( 0.727 1.356 3.897) 4.190 3.296 ( -0.532 -1.492 -4.695) 4.955 3.296 ( -0.532 -1.492 4.695) 4.955 3.508 ( 1.449 0.238 -3.239) 3.556 3.508 ( 1.449 0.238 3.239) 3.556 3.852 ( -0.370 2.797 -3.382) 4.404 3.852 ( -0.370 2.797 3.382) 4.404 4.182 ( -10.724 2.861 -3.073) 11.517 4.182 ( -10.724 2.861 3.073) 11.517 6.129 ( 0.426 -1.316 -0.959) 1.683 6.129 ( 0.426 -1.316 0.959) 1.683 6.519 ( -6.520 -1.977 -3.448) 7.636 6.519 ( -6.520 -1.977 3.448) 7.636 6.701 ( 0.360 -0.099 -2.775) 2.800 6.701 ( 0.360 -0.099 2.775) 2.800 6.871 ( -1.132 0.135 -1.937) 2.248 6.871 ( -1.132 0.135 1.937) 2.248 7.089 ( 0.671 -1.243 -1.567) 2.110 7.089 ( 0.671 -1.243 1.567) 2.110 7.291 ( 1.701 2.647 -0.916) 3.277 7.291 ( 1.701 2.647 0.916) 3.277 7.421 ( 0.931 -2.771 -3.454) 4.525 7.421 ( 0.931 -2.771 3.454) 4.525 7.789 ( -1.137 1.060 -6.665) 6.844 7.789 ( -1.137 1.060 6.665) 6.844 8.459 ( -0.497 -3.694 -20.356) 20.695 8.459 ( -0.497 -3.694 20.356) 20.695 8.685 ( 2.065 0.337 -13.440) 13.601 8.685 ( 2.065 0.337 13.440) 13.602 9.480 ( 2.953 0.673 -2.658) 4.030 9.480 ( 2.953 0.673 2.658) 4.030 ======================= Grid point 416 (123/147) ======================= q-point: (-0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -9.319 1.025 -5.581) 10.911 1.770 ( -9.319 1.025 5.581) 10.911 1.827 ( -5.861 -0.634 -2.845) 6.545 1.827 ( -5.861 -0.634 2.845) 6.545 2.124 ( -6.477 -0.222 -2.926) 7.111 2.124 ( -6.477 -0.222 2.926) 7.111 2.275 ( -2.933 -4.094 -2.157) 5.479 2.275 ( -2.933 -4.094 2.157) 5.479 2.499 ( -2.543 -8.284 -2.843) 9.120 2.499 ( -2.543 -8.284 2.843) 9.120 2.794 ( -2.534 0.156 -4.547) 5.207 2.794 ( -2.534 0.156 4.547) 5.207 2.918 ( 1.498 -1.081 -0.740) 1.990 2.918 ( 1.498 -1.081 0.740) 1.990 3.014 ( -3.751 2.365 -0.699) 4.489 3.014 ( -3.751 2.365 0.699) 4.489 3.183 ( -0.001 0.747 -1.964) 2.101 3.183 ( -0.001 0.747 1.964) 2.101 3.289 ( -0.381 0.160 -6.536) 6.549 3.289 ( -0.381 0.160 6.536) 6.549 3.514 ( -0.591 2.040 -4.717) 5.173 3.514 ( -0.591 2.040 4.717) 5.173 3.794 ( -7.826 3.923 -1.274) 8.847 3.794 ( -7.826 3.923 1.274) 8.847 3.935 ( -8.009 2.170 -1.357) 8.408 3.935 ( -8.009 2.170 1.357) 8.408 6.168 ( 2.623 -1.200 -1.137) 3.100 6.168 ( 2.623 -1.200 1.137) 3.100 6.420 ( -4.370 -2.484 -3.946) 6.390 6.420 ( -4.370 -2.484 3.946) 6.390 6.723 ( 1.246 -0.390 -3.804) 4.022 6.723 ( 1.246 -0.390 3.804) 4.022 6.827 ( -2.739 -0.377 -1.621) 3.205 6.827 ( -2.739 -0.377 1.621) 3.205 7.112 ( 0.095 -1.911 -2.933) 3.502 7.112 ( 0.095 -1.911 2.933) 3.502 7.327 ( 2.739 1.879 -1.205) 3.533 7.327 ( 2.739 1.879 1.205) 3.533 7.423 ( -2.146 -1.063 -2.777) 3.668 7.423 ( -2.146 -1.063 2.778) 3.668 7.720 ( -5.173 0.935 -5.623) 7.697 7.720 ( -5.173 0.935 5.623) 7.697 8.502 ( 2.072 -5.957 -18.603) 19.643 8.502 ( 2.072 -5.957 18.603) 19.643 8.726 ( 2.496 -0.141 -10.516) 10.809 8.726 ( 2.496 -0.141 10.516) 10.809 9.538 ( 3.697 1.447 -3.034) 4.997 9.538 ( 3.697 1.447 3.034) 4.997 ======================= Grid point 418 (124/147) ======================= q-point: (-0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -12.644 0.840 -2.081) 12.841 1.548 ( -12.644 0.840 2.081) 12.841 1.703 ( -7.303 2.484 -3.419) 8.437 1.703 ( -7.303 2.484 3.419) 8.437 2.011 ( -5.435 -0.871 -2.851) 6.199 2.011 ( -5.435 -0.871 2.851) 6.199 2.238 ( -3.313 -4.619 -0.384) 5.697 2.238 ( -3.313 -4.619 0.384) 5.697 2.487 ( -3.601 -5.232 -3.295) 7.155 2.487 ( -3.601 -5.232 3.295) 7.155 2.690 ( -8.259 -0.265 -4.634) 9.474 2.690 ( -8.259 -0.265 4.634) 9.474 2.845 ( -8.907 2.226 -3.911) 9.979 2.845 ( -8.907 2.226 3.911) 9.979 2.979 ( -2.118 -0.714 -4.310) 4.855 2.979 ( -2.118 -0.714 4.310) 4.855 3.113 ( -8.772 2.972 -2.064) 9.489 3.113 ( -8.772 2.972 2.064) 9.489 3.273 ( -1.333 0.292 -5.323) 5.495 3.273 ( -1.333 0.292 5.323) 5.495 3.430 ( -2.803 2.917 -4.320) 5.918 3.430 ( -2.803 2.917 4.320) 5.918 3.640 ( -0.343 -0.047 -2.412) 2.436 3.640 ( -0.343 -0.047 2.412) 2.436 3.895 ( 0.479 0.428 -0.666) 0.925 3.895 ( 0.479 0.428 0.666) 0.925 6.212 ( 0.868 0.798 -1.615) 2.000 6.212 ( 0.868 0.798 1.615) 2.000 6.403 ( 0.631 -4.346 -3.454) 5.588 6.403 ( 0.631 -4.346 3.454) 5.588 6.720 ( -2.338 -0.538 -2.641) 3.568 6.720 ( -2.338 -0.538 2.641) 3.568 6.804 ( 0.094 0.388 -5.765) 5.779 6.804 ( 0.094 0.388 5.765) 5.779 7.034 ( -11.584 -3.260 -1.563) 12.135 7.034 ( -11.584 -3.260 1.563) 12.135 7.309 ( -2.905 0.055 -6.621) 7.231 7.309 ( -2.905 0.055 6.621) 7.231 7.440 ( 4.838 2.558 -1.108) 5.583 7.440 ( 4.838 2.558 1.108) 5.583 7.608 ( -5.404 0.323 -3.800) 6.614 7.608 ( -5.404 0.323 3.800) 6.614 8.593 ( 3.418 -6.625 -12.371) 14.443 8.593 ( 3.418 -6.625 12.371) 14.443 8.788 ( 3.900 -1.177 -4.401) 5.997 8.788 ( 3.900 -1.177 4.401) 5.997 9.604 ( 4.285 2.328 -3.061) 5.757 9.604 ( 4.285 2.328 3.061) 5.757 ======================= Grid point 420 (125/147) ======================= q-point: (-0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -12.972 3.703 -6.350) 14.910 1.288 ( -12.972 3.703 6.350) 14.910 1.526 ( -8.517 6.354 -9.775) 14.438 1.526 ( -8.517 6.354 9.775) 14.438 1.920 ( -5.790 -2.716 -2.059) 6.718 1.920 ( -5.790 -2.716 2.059) 6.718 2.199 ( -4.128 -3.124 -0.449) 5.197 2.199 ( -4.128 -3.124 0.449) 5.197 2.363 ( -10.989 0.121 -2.487) 11.268 2.363 ( -10.989 0.121 2.487) 11.268 2.538 ( -8.344 1.553 -3.095) 9.034 2.538 ( -8.344 1.553 3.095) 9.034 2.573 ( -14.767 4.373 -3.944) 15.898 2.573 ( -14.767 4.373 3.944) 15.898 2.748 ( -12.989 0.288 -5.042) 13.936 2.748 ( -12.989 0.288 5.042) 13.936 3.038 ( -0.452 -1.338 -3.604) 3.871 3.038 ( -0.452 -1.338 3.604) 3.871 3.276 ( 1.300 -0.338 -3.791) 4.022 3.276 ( 1.300 -0.338 3.791) 4.022 3.455 ( 3.533 1.189 -3.433) 5.067 3.455 ( 3.533 1.189 3.433) 5.067 3.712 ( 4.458 -6.599 -2.829) 8.452 3.712 ( 4.458 -6.599 2.829) 8.452 3.910 ( 1.598 1.814 -1.251) 2.722 3.910 ( 1.598 1.814 1.251) 2.722 6.158 ( -9.108 0.124 -0.396) 9.118 6.158 ( -9.108 0.124 0.396) 9.118 6.407 ( -6.731 -4.762 -1.725) 8.423 6.407 ( -6.731 -4.762 1.725) 8.423 6.661 ( -2.218 0.678 -1.454) 2.738 6.661 ( -2.218 0.678 1.454) 2.738 6.730 ( -4.845 2.549 -5.226) 7.569 6.730 ( -4.845 2.549 5.226) 7.569 6.884 ( -2.400 -5.079 -2.476) 6.139 6.884 ( -2.400 -5.079 2.476) 6.139 7.269 ( -1.848 0.225 -5.611) 5.912 7.269 ( -1.848 0.225 5.611) 5.912 7.433 ( -4.317 3.773 -1.805) 6.011 7.433 ( -4.317 3.773 1.805) 6.011 7.600 ( 4.852 0.518 -4.770) 6.824 7.600 ( 4.852 0.518 4.770) 6.824 8.686 ( 2.657 -4.917 -2.187) 6.001 8.686 ( 2.657 -4.917 2.187) 6.001 8.900 ( 6.444 -4.109 -5.323) 9.314 8.900 ( 6.444 -4.109 5.323) 9.314 9.674 ( 4.625 3.352 -2.732) 6.332 9.674 ( 4.625 3.352 2.732) 6.332 ======================= Grid point 422 (126/147) ======================= q-point: (-0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -7.969 8.986 -12.051) 17.014 1.042 ( -7.969 8.986 12.051) 17.014 1.291 ( -11.955 10.582 -12.221) 20.106 1.291 ( -11.955 10.582 12.221) 20.106 1.773 ( -9.871 2.449 -7.836) 12.838 1.773 ( -9.871 2.449 7.836) 12.838 2.028 ( -8.309 2.757 -7.691) 11.653 2.028 ( -8.309 2.757 7.691) 11.653 2.239 ( -6.343 1.843 -9.028) 11.186 2.239 ( -6.343 1.843 9.028) 11.186 2.292 ( -2.509 0.553 -1.737) 3.101 2.292 ( -2.509 0.553 1.737) 3.101 2.463 ( -5.541 -4.526 -2.649) 7.629 2.463 ( -5.541 -4.526 2.649) 7.629 2.573 ( -5.855 -1.549 -2.518) 6.559 2.573 ( -5.855 -1.549 2.518) 6.559 3.048 ( 0.257 -2.576 -2.884) 3.875 3.048 ( 0.257 -2.576 2.884) 3.875 3.309 ( 1.503 -0.804 -4.108) 4.447 3.309 ( 1.503 -0.804 4.108) 4.447 3.508 ( 2.752 2.293 -3.205) 4.807 3.508 ( 2.752 2.293 3.205) 4.807 3.843 ( 3.841 -9.379 -3.492) 10.719 3.843 ( 3.841 -9.379 3.492) 10.719 3.938 ( 2.553 2.116 -2.349) 4.064 3.938 ( 2.553 2.116 2.349) 4.064 5.758 ( -27.725 -1.139 -2.646) 27.875 5.758 ( -27.725 -1.139 2.646) 27.875 6.334 ( -1.084 -2.746 -2.432) 3.825 6.334 ( -1.084 -2.746 2.432) 3.825 6.634 ( -0.802 5.231 -5.006) 7.284 6.634 ( -0.802 5.231 5.006) 7.284 6.704 ( 0.922 2.935 -1.878) 3.605 6.704 ( 0.922 2.935 1.878) 3.605 6.903 ( 1.180 -5.805 -4.414) 7.388 6.903 ( 1.180 -5.805 4.414) 7.388 7.204 ( -5.120 -0.081 -0.996) 5.217 7.204 ( -5.120 -0.081 0.996) 5.217 7.353 ( -0.593 4.349 -6.999) 8.261 7.353 ( -0.593 4.349 6.999) 8.261 7.684 ( 3.513 0.794 -6.328) 7.281 7.684 ( 3.513 0.794 6.328) 7.281 8.746 ( 1.345 -3.209 -4.343) 5.565 8.746 ( 1.345 -3.209 4.343) 5.565 9.068 ( 6.713 -8.483 -9.708) 14.536 9.068 ( 6.713 -8.483 9.708) 14.536 9.735 ( 3.659 4.233 -2.241) 6.027 9.735 ( 3.659 4.233 2.241) 6.027 ======================= Grid point 424 (127/147) ======================= q-point: (-0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.000 12.229 -16.030) 20.162 0.921 ( -0.000 12.229 16.030) 20.162 1.036 ( -0.000 14.953 -15.345) 21.426 1.036 ( -0.000 14.953 15.345) 21.426 1.637 ( -0.000 6.094 -21.034) 21.899 1.637 ( -0.000 6.094 21.034) 21.899 1.947 ( -0.000 0.089 -6.881) 6.881 1.947 ( -0.000 0.089 6.881) 6.881 2.148 ( -0.000 3.500 -11.671) 12.185 2.148 ( -0.000 3.500 11.671) 12.185 2.309 ( 0.000 -2.890 -2.289) 3.687 2.309 ( 0.000 -2.890 2.289) 3.687 2.424 ( 0.000 -5.170 -6.349) 8.188 2.424 ( 0.000 -5.170 6.349) 8.188 2.531 ( 0.000 -1.815 -0.298) 1.839 2.531 ( 0.000 -1.815 0.298) 1.839 3.071 ( 0.000 -3.914 -1.991) 4.391 3.071 ( 0.000 -3.914 1.991) 4.391 3.331 ( 0.000 -0.892 -4.685) 4.770 3.331 ( 0.000 -0.892 4.685) 4.770 3.522 ( -0.000 3.401 -3.557) 4.921 3.522 ( -0.000 3.401 3.557) 4.921 3.933 ( 0.000 -5.500 -4.353) 7.014 3.933 ( 0.000 -5.500 4.353) 7.014 3.968 ( 0.000 -2.187 -3.287) 3.948 3.968 ( 0.000 -2.187 3.287) 3.948 5.413 ( -0.000 3.064 -1.553) 3.435 5.413 ( -0.000 3.064 1.553) 3.435 6.357 ( 0.000 -5.610 -3.348) 6.533 6.357 ( 0.000 -5.610 3.348) 6.533 6.575 ( -0.000 11.213 -7.218) 13.335 6.575 ( -0.000 11.213 7.218) 13.335 6.691 ( -0.000 1.247 -4.148) 4.331 6.691 ( -0.000 1.247 4.148) 4.331 6.968 ( 0.000 -5.915 -4.604) 7.495 6.968 ( 0.000 -5.915 4.604) 7.495 7.130 ( -0.000 1.224 -3.099) 3.332 7.130 ( -0.000 1.224 3.099) 3.332 7.336 ( -0.000 2.811 -8.388) 8.846 7.336 ( -0.000 2.811 8.388) 8.846 7.714 ( -0.000 0.909 -6.598) 6.661 7.714 ( -0.000 0.909 6.598) 6.661 8.774 ( 0.000 -2.305 -6.251) 6.662 8.774 ( 0.000 -2.305 6.251) 6.662 9.201 ( 0.000 -11.581 -8.816) 14.554 9.201 ( 0.000 -11.581 8.816) 14.554 9.750 ( -0.000 4.786 -2.624) 5.458 9.750 ( -0.000 4.786 2.624) 5.458 ======================= Grid point 434 (128/147) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.685 0.000 -0.596) 0.908 1.855 ( 0.685 0.000 0.596) 0.908 2.049 ( 3.339 0.000 -0.324) 3.355 2.049 ( 3.339 0.000 0.324) 3.355 2.398 ( 2.288 0.000 -0.165) 2.294 2.398 ( 2.288 0.000 0.165) 2.294 2.541 ( -5.942 -0.000 -1.164) 6.055 2.541 ( -5.942 -0.000 1.164) 6.055 2.593 ( -1.395 -0.000 -0.492) 1.479 2.593 ( -1.395 -0.000 0.492) 1.479 2.795 ( -4.620 -0.000 -0.993) 4.726 2.795 ( -4.620 -0.000 0.993) 4.726 2.868 ( -1.015 -0.000 -0.296) 1.057 2.868 ( -1.015 -0.000 0.296) 1.057 3.037 ( 0.826 0.000 -0.363) 0.903 3.037 ( 0.826 0.000 0.363) 0.903 3.171 ( 1.668 0.000 -7.378) 7.564 3.171 ( 1.668 0.000 7.378) 7.564 3.236 ( -0.011 -0.000 -4.179) 4.179 3.236 ( -0.011 -0.000 4.179) 4.179 3.412 ( 2.605 0.000 -4.062) 4.825 3.412 ( 2.605 0.000 4.062) 4.825 3.909 ( 1.136 0.000 -5.235) 5.356 3.909 ( 1.136 0.000 5.235) 5.356 4.229 ( 8.385 0.000 -2.328) 8.702 4.229 ( 8.385 0.000 2.328) 8.702 6.178 ( -2.312 -0.000 -2.795) 3.627 6.178 ( -2.312 -0.000 2.795) 3.627 6.641 ( -0.212 -0.000 -6.580) 6.584 6.641 ( -0.212 -0.000 6.580) 6.584 6.763 ( 1.539 0.000 -8.150) 8.294 6.763 ( 1.539 0.000 8.150) 8.294 6.808 ( 0.117 0.000 -1.847) 1.851 6.808 ( 0.117 0.000 1.847) 1.851 7.113 ( -3.036 -0.000 -0.492) 3.075 7.113 ( -3.036 -0.000 0.492) 3.075 7.225 ( 3.631 0.000 -0.662) 3.691 7.225 ( 3.631 0.000 0.662) 3.691 7.450 ( -2.685 -0.000 -4.758) 5.463 7.450 ( -2.685 -0.000 4.758) 5.463 7.770 ( 0.284 0.000 -3.752) 3.763 7.770 ( 0.284 0.000 3.752) 3.763 8.541 ( -3.939 -0.000 -16.127) 16.601 8.541 ( -3.939 -0.000 16.127) 16.601 8.648 ( -0.945 -0.000 -13.926) 13.958 8.648 ( -0.945 -0.000 13.926) 13.958 9.422 ( -0.085 -0.000 -1.565) 1.567 9.422 ( -0.085 -0.000 1.565) 1.567 ======================= Grid point 436 (129/147) ======================= q-point: (-0.69 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.434 0.049 -1.163) 1.242 1.867 ( 0.434 0.049 1.163) 1.242 2.074 ( -1.028 0.009 -2.840) 3.020 2.074 ( -1.028 0.009 2.840) 3.020 2.342 ( -9.592 0.714 -1.976) 9.819 2.342 ( -9.592 0.714 1.976) 9.819 2.406 ( -3.736 0.310 -1.449) 4.019 2.406 ( -3.736 0.310 1.449) 4.019 2.534 ( -4.620 -1.839 -0.545) 5.002 2.534 ( -4.620 -1.839 0.545) 5.002 2.788 ( 2.140 0.021 -4.028) 4.561 2.788 ( 2.140 0.021 4.028) 4.561 2.862 ( 0.263 -0.095 -0.050) 0.284 2.862 ( 0.263 -0.095 0.050) 0.284 3.061 ( 1.517 0.321 -1.057) 1.877 3.061 ( 1.517 0.321 1.057) 1.877 3.198 ( 1.057 2.540 -5.260) 5.936 3.198 ( 1.057 2.540 5.260) 5.936 3.248 ( 0.592 -3.331 -3.837) 5.115 3.248 ( 0.592 -3.331 3.837) 5.115 3.459 ( 2.415 -0.435 -3.706) 4.445 3.459 ( 2.415 -0.435 3.706) 4.445 3.908 ( -0.553 1.651 -5.600) 5.864 3.908 ( -0.553 1.651 5.600) 5.864 4.310 ( -0.447 -0.083 -3.044) 3.078 4.310 ( -0.447 -0.083 3.044) 3.078 6.134 ( -1.945 -0.108 -1.968) 2.769 6.134 ( -1.945 -0.108 1.968) 2.769 6.596 ( -3.842 -0.832 -2.416) 4.615 6.596 ( -3.842 -0.832 2.416) 4.615 6.731 ( -2.835 0.265 -4.129) 5.016 6.731 ( -2.835 0.265 4.129) 5.016 6.865 ( 2.626 0.299 -2.318) 3.516 6.865 ( 2.626 0.299 2.318) 3.516 7.074 ( -0.849 -0.230 -0.496) 1.010 7.074 ( -0.849 -0.230 0.496) 1.010 7.293 ( 3.219 0.680 -1.684) 3.696 7.293 ( 3.219 0.680 1.684) 3.696 7.391 ( -2.848 -0.540 -6.057) 6.715 7.391 ( -2.848 -0.540 6.057) 6.715 7.787 ( 1.452 0.074 -6.796) 6.950 7.787 ( 1.452 0.074 6.796) 6.950 8.468 ( -3.498 -0.481 -19.820) 20.132 8.468 ( -3.498 -0.481 19.820) 20.132 8.655 ( 1.420 0.201 -14.827) 14.896 8.655 ( 1.420 0.201 14.827) 14.896 9.438 ( 1.717 0.004 -2.151) 2.752 9.438 ( 1.717 0.004 2.151) 2.752 ======================= Grid point 438 (130/147) ======================= q-point: (-0.62 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -1.128 0.304 -0.807) 1.419 1.862 ( -1.128 0.304 0.807) 1.419 1.983 ( -8.642 0.313 -1.712) 8.815 1.983 ( -8.642 0.313 1.712) 8.815 2.199 ( -4.625 -2.089 -0.343) 5.086 2.199 ( -4.625 -2.089 0.343) 5.086 2.319 ( -4.931 0.548 -1.700) 5.245 2.319 ( -4.931 0.548 1.700) 5.245 2.457 ( -5.060 -4.363 -1.154) 6.780 2.457 ( -5.060 -4.363 1.154) 6.780 2.817 ( 0.607 0.627 -4.978) 5.054 2.817 ( 0.607 0.627 4.978) 5.054 2.883 ( 1.640 -0.017 -2.334) 2.853 2.883 ( 1.640 -0.017 2.334) 2.853 3.077 ( -0.093 0.693 -2.088) 2.201 3.077 ( -0.093 0.693 2.088) 2.201 3.193 ( 0.149 1.532 -2.556) 2.984 3.193 ( 0.149 1.532 2.556) 2.984 3.278 ( 0.699 -1.610 -4.545) 4.872 3.278 ( 0.699 -1.610 4.545) 4.872 3.507 ( 2.171 -0.270 -3.538) 4.160 3.507 ( 2.171 -0.270 3.538) 4.160 3.878 ( -1.380 1.816 -4.865) 5.373 3.878 ( -1.380 1.816 4.865) 5.373 4.207 ( -9.652 1.585 -3.052) 10.246 4.207 ( -9.652 1.585 3.052) 10.246 6.119 ( 0.364 -0.603 -0.607) 0.930 6.119 ( 0.364 -0.603 0.607) 0.930 6.500 ( -6.487 -1.283 -3.170) 7.333 6.500 ( -6.487 -1.283 3.170) 7.333 6.701 ( 0.191 0.050 -2.690) 2.697 6.701 ( 0.191 0.050 2.690) 2.697 6.872 ( -1.576 0.072 -2.078) 2.609 6.872 ( -1.576 0.072 2.078) 2.609 7.078 ( 0.683 -0.711 -1.409) 1.720 7.078 ( 0.683 -0.711 1.409) 1.720 7.320 ( 1.349 2.741 -1.059) 3.233 7.320 ( 1.349 2.741 1.059) 3.233 7.388 ( 0.970 -2.984 -3.674) 4.831 7.388 ( 0.970 -2.984 3.674) 4.831 7.798 ( -0.900 0.658 -7.413) 7.497 7.798 ( -0.900 0.658 7.413) 7.497 8.427 ( -1.317 -2.032 -21.295) 21.432 8.427 ( -1.317 -2.032 21.295) 21.432 8.688 ( 1.897 0.215 -13.415) 13.550 8.688 ( 1.897 0.215 13.415) 13.550 9.485 ( 3.204 0.333 -2.837) 4.292 9.485 ( 3.204 0.333 2.837) 4.292 ======================= Grid point 440 (131/147) ======================= q-point: (-0.54 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -10.503 0.418 -3.686) 11.139 1.778 ( -10.503 0.418 3.686) 11.139 1.823 ( -4.197 -0.025 -2.221) 4.749 1.823 ( -4.197 -0.025 2.221) 4.749 2.122 ( -5.562 -0.291 -4.434) 7.118 2.122 ( -5.562 -0.291 4.434) 7.118 2.246 ( -2.809 -0.931 -2.906) 4.148 2.246 ( -2.809 -0.931 2.906) 4.148 2.404 ( -3.575 -8.495 -3.297) 9.788 2.404 ( -3.575 -8.495 3.297) 9.788 2.804 ( -1.913 1.352 -3.916) 4.563 2.804 ( -1.913 1.352 3.916) 4.563 2.906 ( 0.054 -1.064 -1.518) 1.855 2.906 ( 0.054 -1.064 1.518) 1.855 3.036 ( -3.283 1.628 -0.743) 3.739 3.036 ( -3.283 1.628 0.743) 3.739 3.191 ( -0.093 0.654 -1.353) 1.505 3.191 ( -0.093 0.654 1.353) 1.505 3.290 ( 0.169 0.066 -4.993) 4.996 3.290 ( 0.169 0.066 4.993) 4.996 3.531 ( 0.110 1.104 -4.422) 4.559 3.531 ( 0.110 1.104 4.422) 4.559 3.824 ( -5.731 1.673 -2.310) 6.402 3.824 ( -5.731 1.673 2.310) 6.402 3.964 ( -10.829 2.715 -1.613) 11.281 3.964 ( -10.829 2.715 1.613) 11.281 6.157 ( 2.955 -0.840 -1.268) 3.323 6.157 ( 2.955 -0.840 1.268) 3.323 6.394 ( -4.770 -2.018 -3.502) 6.253 6.394 ( -4.770 -2.018 3.502) 6.253 6.721 ( 1.137 -0.127 -3.320) 3.511 6.721 ( 1.137 -0.127 3.320) 3.511 6.825 ( -2.537 -0.091 -1.084) 2.761 6.825 ( -2.537 -0.091 1.084) 2.761 7.094 ( -0.332 -1.278 -1.996) 2.393 7.094 ( -0.332 -1.278 1.996) 2.393 7.345 ( 1.639 1.552 -1.137) 2.527 7.345 ( 1.639 1.552 1.137) 2.527 7.409 ( -0.088 -1.427 -3.115) 3.427 7.409 ( -0.088 -1.427 3.115) 3.427 7.729 ( -5.659 0.731 -6.192) 8.420 7.729 ( -5.659 0.731 6.192) 8.420 8.445 ( 1.481 -4.094 -20.382) 20.842 8.445 ( 1.481 -4.094 20.382) 20.842 8.726 ( 2.261 -0.018 -10.848) 11.081 8.726 ( 2.261 -0.018 10.848) 11.081 9.551 ( 3.958 0.897 -3.314) 5.239 9.551 ( 3.958 0.897 3.314) 5.239 ======================= Grid point 442 (132/147) ======================= q-point: (-0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -11.706 0.940 -3.385) 12.222 1.558 ( -11.706 0.940 3.385) 12.222 1.732 ( -4.971 2.689 -2.775) 6.296 1.732 ( -4.971 2.689 2.775) 6.296 2.005 ( -6.177 0.002 -4.233) 7.488 2.005 ( -6.177 0.002 4.233) 7.488 2.193 ( -3.830 -3.423 -0.739) 5.190 2.193 ( -3.830 -3.423 0.739) 5.190 2.410 ( -1.858 -8.220 -3.823) 9.254 2.410 ( -1.858 -8.220 3.823) 9.254 2.701 ( -8.262 2.047 -3.197) 9.093 2.701 ( -8.262 2.047 3.197) 9.093 2.849 ( -7.775 -1.243 -3.238) 8.514 2.849 ( -7.775 -1.243 3.238) 8.514 2.982 ( -1.228 1.144 -4.155) 4.481 2.982 ( -1.228 1.144 4.155) 4.481 3.146 ( -6.524 2.752 -2.118) 7.391 3.146 ( -6.524 2.752 2.118) 7.391 3.276 ( -1.714 0.187 -4.459) 4.780 3.276 ( -1.714 0.187 4.459) 4.780 3.467 ( -4.486 3.618 -4.277) 7.177 3.467 ( -4.486 3.618 4.277) 7.177 3.638 ( -4.727 -0.256 -2.145) 5.197 3.638 ( -4.727 -0.256 2.145) 5.197 3.899 ( 0.818 0.247 -0.334) 0.918 3.899 ( 0.818 0.247 0.334) 0.918 6.214 ( 1.546 -0.408 -2.478) 2.949 6.214 ( 1.546 -0.408 2.478) 2.949 6.359 ( -0.467 -3.358 -2.443) 4.179 6.359 ( -0.467 -3.358 2.443) 4.179 6.717 ( -1.746 -0.024 -2.126) 2.751 6.717 ( -1.746 -0.024 2.126) 2.751 6.806 ( 0.373 -0.021 -5.648) 5.660 6.806 ( 0.373 -0.021 5.648) 5.660 7.005 ( -11.858 -1.957 -1.958) 12.177 7.005 ( -11.858 -1.957 1.958) 12.177 7.312 ( -2.465 0.625 -7.123) 7.563 7.312 ( -2.465 0.625 7.123) 7.563 7.463 ( 5.283 1.690 -1.016) 5.639 7.463 ( 5.283 1.690 1.016) 5.639 7.609 ( -5.733 -0.019 -3.340) 6.635 7.609 ( -5.733 -0.019 3.340) 6.635 8.523 ( 3.575 -5.676 -15.560) 16.944 8.523 ( 3.575 -5.676 15.560) 16.944 8.780 ( 3.387 -0.518 -6.256) 7.133 8.780 ( 3.387 -0.518 6.256) 7.133 9.625 ( 4.574 1.588 -3.371) 5.900 9.625 ( 4.574 1.588 3.371) 5.900 ======================= Grid point 444 (133/147) ======================= q-point: (-0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -10.665 3.576 -7.638) 13.596 1.329 ( -10.665 3.576 7.638) 13.596 1.602 ( -5.819 7.335 -7.001) 11.691 1.602 ( -5.819 7.335 7.001) 11.691 1.895 ( -5.905 -1.695 -2.961) 6.820 1.895 ( -5.905 -1.695 2.961) 6.820 2.151 ( -3.062 -5.154 -1.932) 6.298 2.151 ( -3.062 -5.154 1.932) 6.298 2.356 ( -9.610 -1.688 -2.375) 10.042 2.356 ( -9.610 -1.688 2.375) 10.042 2.506 ( -9.291 -3.347 -1.929) 10.062 2.506 ( -9.291 -3.347 1.929) 10.062 2.647 ( -12.561 3.505 -4.492) 13.793 2.647 ( -12.561 3.505 4.492) 13.793 2.788 ( -14.414 8.310 -6.660) 17.921 2.788 ( -14.414 8.310 6.660) 17.921 3.029 ( -0.920 -0.359 -5.519) 5.607 3.029 ( -0.920 -0.359 5.519) 5.607 3.269 ( 0.594 -1.226 -3.914) 4.145 3.269 ( 0.594 -1.226 3.914) 4.145 3.462 ( 3.225 0.119 -3.386) 4.678 3.462 ( 3.225 0.119 3.386) 4.678 3.640 ( 1.167 -6.283 -2.235) 6.770 3.640 ( 1.167 -6.283 2.235) 6.770 3.929 ( 2.465 1.620 -1.083) 3.142 3.929 ( 2.465 1.620 1.083) 3.142 6.160 ( -11.008 0.325 -0.865) 11.047 6.160 ( -11.008 0.325 0.865) 11.047 6.349 ( -5.321 -5.590 -2.552) 8.129 6.349 ( -5.321 -5.590 2.552) 8.129 6.670 ( -2.056 1.017 -2.179) 3.164 6.670 ( -2.056 1.017 2.179) 3.164 6.751 ( -4.589 0.651 -3.895) 6.054 6.751 ( -4.589 0.651 3.895) 6.054 6.842 ( -1.314 -2.264 -3.218) 4.148 6.842 ( -1.314 -2.264 3.218) 4.148 7.274 ( -2.031 0.789 -6.412) 6.772 7.274 ( -2.031 0.789 6.412) 6.772 7.474 ( -3.359 3.544 -2.719) 5.589 7.474 ( -3.359 3.544 2.719) 5.589 7.601 ( 5.011 -0.218 -4.299) 6.606 7.601 ( 5.011 -0.218 4.299) 6.606 8.625 ( 3.342 -5.678 -6.988) 9.605 8.625 ( 3.342 -5.678 6.988) 9.605 8.866 ( 5.095 -2.098 -1.000) 5.600 8.866 ( 5.095 -2.098 1.000) 5.600 9.706 ( 4.904 2.426 -2.945) 6.214 9.706 ( 4.904 2.426 2.945) 6.214 ======================= Grid point 446 (134/147) ======================= q-point: (-0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -5.777 7.399 -12.095) 15.311 1.135 ( -5.777 7.399 12.095) 15.311 1.417 ( -8.302 12.216 -9.386) 17.500 1.417 ( -8.302 12.216 9.386) 17.500 1.787 ( -6.007 0.278 -2.829) 6.646 1.787 ( -6.007 0.278 2.829) 6.646 2.051 ( -10.040 1.098 -4.727) 11.151 2.051 ( -10.040 1.098 4.727) 11.151 2.197 ( -2.182 -6.248 -3.567) 7.518 2.197 ( -2.182 -6.248 3.567) 7.518 2.357 ( -9.555 2.165 -6.912) 11.990 2.357 ( -9.555 2.165 6.912) 11.990 2.432 ( -4.198 4.011 -7.664) 9.615 2.432 ( -4.198 4.011 7.664) 9.615 2.563 ( -6.652 0.442 -2.919) 7.277 2.563 ( -6.652 0.442 2.919) 7.277 3.028 ( 0.042 -1.095 -5.049) 5.167 3.028 ( 0.042 -1.095 5.049) 5.167 3.296 ( 1.070 -1.788 -3.770) 4.308 3.296 ( 1.070 -1.788 3.770) 4.308 3.523 ( 2.698 0.413 -2.980) 4.041 3.523 ( 2.698 0.413 2.980) 4.041 3.727 ( 2.416 -10.910 -2.431) 11.435 3.727 ( 2.416 -10.910 2.431) 11.435 3.967 ( 2.576 2.696 -2.140) 4.300 3.967 ( 2.576 2.696 2.140) 4.300 5.752 ( -25.112 -0.071 -0.941) 25.130 5.752 ( -25.112 -0.071 0.941) 25.130 6.297 ( -2.298 -3.580 -3.802) 5.705 6.297 ( -2.298 -3.580 3.802) 5.705 6.672 ( 1.586 1.615 -3.438) 4.116 6.672 ( 1.586 1.615 3.438) 4.116 6.748 ( 1.908 3.920 -2.679) 5.117 6.748 ( 1.908 3.920 2.679) 5.117 6.844 ( 0.308 -4.128 -4.248) 5.931 6.844 ( 0.308 -4.128 4.248) 5.931 7.205 ( -4.579 0.353 -2.451) 5.205 7.205 ( -4.579 0.353 2.451) 5.205 7.406 ( -0.737 5.160 -7.656) 9.262 7.406 ( -0.737 5.160 7.656) 9.262 7.689 ( 3.385 0.009 -6.546) 7.369 7.689 ( 3.385 0.009 6.546) 7.369 8.702 ( 1.606 -4.661 -0.762) 4.988 8.702 ( 1.606 -4.661 0.762) 4.988 8.990 ( 5.093 -5.506 -7.128) 10.347 8.990 ( 5.093 -5.506 7.128) 10.347 9.776 ( 3.664 3.139 -2.183) 5.295 9.776 ( 3.664 3.139 2.183) 5.295 ======================= Grid point 448 (135/147) ======================= q-point: (-0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -0.000 9.392 -15.657) 18.258 1.043 ( -0.000 9.392 15.657) 18.258 1.214 ( -0.000 16.812 -11.311) 20.263 1.214 ( -0.000 16.812 11.311) 20.263 1.701 ( -0.000 4.879 -8.402) 9.716 1.701 ( -0.000 4.879 8.402) 9.716 1.947 ( 0.000 -0.138 -6.264) 6.265 1.947 ( 0.000 -0.138 6.264) 6.265 2.201 ( -0.000 4.348 -14.857) 15.480 2.201 ( -0.000 4.348 14.857) 15.480 2.267 ( 0.000 -4.709 -1.987) 5.111 2.267 ( 0.000 -4.709 1.987) 5.111 2.374 ( 0.000 -1.521 -8.891) 9.020 2.374 ( 0.000 -1.521 8.891) 9.020 2.510 ( 0.000 -1.783 -0.565) 1.870 2.510 ( 0.000 -1.783 0.565) 1.870 3.038 ( 0.000 -2.020 -4.074) 4.547 3.038 ( 0.000 -2.020 4.074) 4.547 3.318 ( 0.000 -1.592 -3.653) 3.985 3.318 ( 0.000 -1.592 3.653) 3.985 3.548 ( -0.000 1.204 -3.249) 3.465 3.548 ( -0.000 1.204 3.249) 3.465 3.821 ( 0.000 -11.943 -3.601) 12.474 3.821 ( 0.000 -11.943 3.601) 12.474 3.984 ( -0.000 2.367 -3.192) 3.974 3.984 ( -0.000 2.367 3.192) 3.974 5.450 ( -0.000 3.394 -1.420) 3.679 5.450 ( -0.000 3.394 1.420) 3.679 6.298 ( 0.000 -4.888 -4.030) 6.335 6.298 ( 0.000 -4.888 4.030) 6.335 6.697 ( -0.000 10.225 -7.611) 12.747 6.697 ( -0.000 10.225 7.611) 12.747 6.701 ( -0.000 0.433 -4.576) 4.596 6.701 ( -0.000 0.433 4.576) 4.596 6.898 ( 0.000 -6.334 -3.786) 7.380 6.898 ( 0.000 -6.334 3.786) 7.380 7.143 ( -0.000 1.022 -3.550) 3.694 7.143 ( -0.000 1.022 3.550) 3.694 7.376 ( -0.000 4.514 -9.780) 10.772 7.376 ( -0.000 4.514 9.780) 10.772 7.721 ( -0.000 0.304 -7.079) 7.085 7.721 ( -0.000 0.304 7.079) 7.085 8.740 ( 0.000 -3.834 -3.785) 5.387 8.740 ( 0.000 -3.834 3.785) 5.387 9.087 ( 0.000 -8.712 -9.029) 12.547 9.087 ( 0.000 -8.712 9.029) 12.547 9.796 ( -0.000 3.570 -1.967) 4.076 9.796 ( -0.000 3.570 1.967) 4.076 ======================= Grid point 462 (136/147) ======================= q-point: (-0.69 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -1.062 -0.000 -0.615) 1.227 1.864 ( -1.062 -0.000 0.615) 1.227 1.985 ( -8.924 -0.000 -1.053) 8.986 1.985 ( -8.924 -0.000 1.053) 8.986 2.187 ( -4.625 -0.000 -0.693) 4.677 2.187 ( -4.625 -0.000 0.693) 4.677 2.324 ( -4.800 -0.000 -2.407) 5.370 2.324 ( -4.800 -0.000 2.407) 5.370 2.431 ( -5.767 -0.000 -0.680) 5.807 2.431 ( -5.767 -0.000 0.680) 5.807 2.821 ( 0.677 0.000 -5.103) 5.148 2.821 ( 0.677 0.000 5.103) 5.148 2.883 ( 1.683 0.000 -2.507) 3.019 2.883 ( 1.683 0.000 2.507) 3.019 3.081 ( -0.030 -0.000 -2.310) 2.310 3.081 ( -0.030 -0.000 2.310) 2.310 3.204 ( -0.507 -0.000 -0.926) 1.056 3.204 ( -0.507 -0.000 0.926) 1.056 3.267 ( 1.633 0.000 -4.122) 4.434 3.267 ( 1.633 0.000 4.122) 4.434 3.505 ( 2.413 0.000 -3.679) 4.400 3.505 ( 2.413 0.000 3.679) 4.400 3.889 ( -1.833 -0.000 -5.376) 5.680 3.889 ( -1.833 -0.000 5.376) 5.680 4.216 ( -9.202 -0.000 -3.043) 9.692 4.216 ( -9.202 -0.000 3.043) 9.692 6.115 ( 0.356 0.000 -0.412) 0.545 6.115 ( 0.356 0.000 0.412) 0.545 6.493 ( -6.498 -0.000 -3.083) 7.192 6.493 ( -6.498 -0.000 3.083) 7.192 6.702 ( 0.136 0.000 -2.701) 2.705 6.702 ( 0.136 0.000 2.701) 2.704 6.872 ( -1.713 -0.000 -2.146) 2.746 6.872 ( -1.713 -0.000 2.146) 2.746 7.074 ( 0.685 0.000 -1.303) 1.472 7.074 ( 0.685 0.000 1.303) 1.472 7.345 ( 0.981 0.000 -1.644) 1.915 7.345 ( 0.981 0.000 1.644) 1.915 7.362 ( 1.182 0.000 -6.012) 6.127 7.362 ( 1.182 0.000 6.012) 6.127 7.802 ( -0.809 -0.000 -7.669) 7.711 7.802 ( -0.809 -0.000 7.669) 7.711 8.415 ( -1.600 -0.000 -21.612) 21.671 8.415 ( -1.600 -0.000 21.612) 21.671 8.689 ( 1.836 0.000 -13.393) 13.518 8.689 ( 1.836 0.000 13.393) 13.518 9.487 ( 3.294 0.000 -2.898) 4.387 9.487 ( 3.294 0.000 2.898) 4.387 ======================= Grid point 466 (137/147) ======================= q-point: (-0.62 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -11.056 0.053 -2.146) 11.263 1.780 ( -11.056 0.053 2.146) 11.263 1.824 ( -3.206 0.119 -0.813) 3.310 1.824 ( -3.206 0.119 0.813) 3.310 2.119 ( -4.485 -0.201 -5.322) 6.962 2.119 ( -4.485 -0.201 5.322) 6.962 2.255 ( -2.063 2.148 -4.608) 5.486 2.255 ( -2.063 2.148 4.608) 5.486 2.323 ( -5.751 -5.543 -2.401) 8.340 2.323 ( -5.751 -5.543 2.400) 8.340 2.817 ( -1.139 0.788 -4.444) 4.655 2.817 ( -1.139 0.788 4.444) 4.655 2.896 ( -1.173 -0.584 -2.799) 3.090 2.896 ( -1.173 -0.584 2.799) 3.090 3.048 ( -2.939 0.593 -0.419) 3.027 3.048 ( -2.939 0.593 0.419) 3.027 3.196 ( -0.348 0.238 -0.597) 0.731 3.196 ( -0.348 0.238 0.597) 0.731 3.291 ( 0.620 0.020 -3.134) 3.195 3.291 ( 0.620 0.020 3.134) 3.195 3.539 ( 0.694 0.331 -4.297) 4.365 3.539 ( 0.694 0.331 4.297) 4.365 3.835 ( -4.920 0.449 -2.992) 5.776 3.835 ( -4.920 0.449 2.992) 5.776 3.987 ( -12.047 1.166 -1.937) 12.257 3.987 ( -12.047 1.166 1.937) 12.257 6.150 ( 2.919 -0.295 -1.343) 3.226 6.150 ( 2.919 -0.295 1.343) 3.226 6.378 ( -4.873 -0.787 -3.257) 5.914 6.378 ( -4.873 -0.787 3.257) 5.914 6.720 ( 1.082 -0.013 -3.050) 3.236 6.720 ( 1.082 -0.013 3.050) 3.236 6.825 ( -2.431 0.002 -0.591) 2.501 6.825 ( -2.431 0.002 0.591) 2.501 7.085 ( -0.531 -0.453 -0.807) 1.067 7.085 ( -0.531 -0.453 0.807) 1.067 7.360 ( -0.128 0.902 -0.906) 1.285 7.360 ( -0.128 0.902 0.906) 1.285 7.394 ( 2.319 -0.944 -3.215) 4.075 7.394 ( 2.319 -0.944 3.215) 4.075 7.735 ( -5.988 0.274 -6.476) 8.825 7.735 ( -5.988 0.274 6.476) 8.825 8.414 ( 1.130 -1.445 -21.245) 21.324 8.414 ( 1.130 -1.445 21.245) 21.324 8.726 ( 2.143 0.003 -10.938) 11.146 8.726 ( 2.143 0.003 10.938) 11.146 9.557 ( 4.087 0.302 -3.458) 5.363 9.557 ( 4.087 0.302 3.458) 5.363 ======================= Grid point 468 (138/147) ======================= q-point: (-0.54 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -10.908 0.659 -4.437) 11.794 1.568 ( -10.908 0.659 4.437) 11.794 1.757 ( -3.187 1.751 -1.577) 3.964 1.757 ( -3.187 1.751 1.577) 3.964 2.013 ( -5.940 1.245 -5.033) 7.884 2.013 ( -5.940 1.245 5.033) 7.884 2.163 ( -5.880 -1.935 -1.287) 6.323 2.163 ( -5.880 -1.935 1.287) 6.323 2.323 ( -0.033 -6.654 -5.848) 8.858 2.323 ( -0.033 -6.654 5.848) 8.858 2.729 ( -8.280 2.643 -3.065) 9.216 2.729 ( -8.280 2.643 3.065) 9.216 2.826 ( -7.288 -2.448 -2.011) 7.947 2.826 ( -7.288 -2.448 2.011) 7.947 2.996 ( -1.372 1.037 -3.221) 3.652 2.996 ( -1.372 1.037 3.221) 3.652 3.170 ( -3.381 1.530 -1.215) 3.905 3.170 ( -3.381 1.530 1.215) 3.905 3.277 ( -2.414 0.084 -3.125) 3.950 3.277 ( -2.414 0.084 3.125) 3.950 3.504 ( -4.379 2.721 -4.361) 6.752 3.504 ( -4.379 2.721 4.361) 6.752 3.634 ( -8.970 -0.361 -1.580) 9.115 3.634 ( -8.970 -0.361 1.580) 9.115 3.901 ( 0.963 0.075 -0.270) 1.003 3.901 ( 0.963 0.075 0.270) 1.003 6.206 ( 1.813 -0.840 -3.315) 3.871 6.206 ( 1.813 -0.840 3.315) 3.871 6.332 ( -1.144 -1.592 -1.356) 2.384 6.332 ( -1.144 -1.592 1.356) 2.384 6.718 ( -1.276 0.182 -1.261) 1.803 6.718 ( -1.276 0.182 1.261) 1.803 6.804 ( 0.000 -0.214 -5.496) 5.500 6.804 ( 0.000 -0.214 5.496) 5.500 6.990 ( -11.461 -0.870 -2.139) 11.692 6.990 ( -11.461 -0.870 2.139) 11.692 7.320 ( -1.911 0.644 -7.251) 7.527 7.320 ( -1.911 0.644 7.251) 7.527 7.477 ( 5.598 0.781 -0.696) 5.694 7.477 ( 5.598 0.781 0.696) 5.694 7.608 ( -6.028 -0.103 -3.087) 6.773 7.608 ( -6.028 -0.103 3.087) 6.773 8.473 ( 3.524 -3.227 -17.206) 17.857 8.473 ( 3.524 -3.227 17.206) 17.857 8.776 ( 3.156 -0.207 -6.949) 7.635 8.776 ( 3.156 -0.207 6.949) 7.635 9.638 ( 4.730 0.793 -3.577) 5.983 9.638 ( 4.730 0.793 3.577) 5.983 ======================= Grid point 470 (139/147) ======================= q-point: (-0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -9.386 2.396 -8.447) 12.852 1.363 ( -9.386 2.396 8.447) 12.852 1.681 ( -2.849 6.397 -3.683) 7.912 1.681 ( -2.849 6.397 3.683) 7.912 1.888 ( -6.241 0.660 -3.813) 7.344 1.888 ( -6.241 0.660 3.813) 7.344 2.090 ( -3.899 -5.792 -1.766) 7.202 2.090 ( -3.899 -5.792 1.766) 7.202 2.325 ( -4.860 -3.510 -1.387) 6.153 2.325 ( -4.860 -3.510 1.387) 6.153 2.480 ( -15.023 -1.176 -0.323) 15.072 2.480 ( -15.023 -1.176 0.323) 15.072 2.656 ( -10.356 -0.543 -2.103) 10.581 2.656 ( -10.356 -0.543 2.103) 10.581 2.903 ( -10.403 10.513 -4.700) 15.519 2.903 ( -10.403 10.513 4.700) 15.519 3.033 ( -2.492 1.629 -8.554) 9.057 3.033 ( -2.492 1.629 8.554) 9.057 3.245 ( -1.010 -3.408 -4.389) 5.648 3.245 ( -1.010 -3.408 4.389) 5.648 3.456 ( 1.371 -1.171 -2.444) 3.038 3.456 ( 1.371 -1.171 2.444) 3.038 3.582 ( -0.680 -3.894 -1.724) 4.313 3.582 ( -0.680 -3.894 1.724) 4.313 3.944 ( 3.211 1.097 -0.864) 3.502 3.944 ( 3.211 1.097 0.864) 3.502 6.168 ( -11.635 1.223 -1.259) 11.767 6.168 ( -11.635 1.223 1.259) 11.767 6.288 ( -4.618 -5.255 -2.868) 7.561 6.288 ( -4.618 -5.255 2.868) 7.561 6.682 ( -2.131 1.144 -2.488) 3.470 6.682 ( -2.131 1.144 2.488) 3.470 6.740 ( -4.966 -2.064 -2.173) 5.800 6.740 ( -4.966 -2.064 2.173) 5.800 6.836 ( -0.210 0.713 -4.843) 4.899 6.836 ( -0.210 0.713 4.843) 4.899 7.285 ( -2.221 1.113 -7.163) 7.582 7.285 ( -2.221 1.113 7.163) 7.582 7.508 ( -2.318 2.632 -3.216) 4.759 7.508 ( -2.318 2.632 3.216) 4.759 7.596 ( 5.083 -0.651 -3.999) 6.500 7.596 ( 5.083 -0.651 3.999) 6.500 8.569 ( 3.749 -4.355 -9.882) 11.431 8.569 ( 3.749 -4.355 9.882) 11.431 8.850 ( 4.356 -0.941 -1.402) 4.672 8.850 ( 4.356 -0.941 1.402) 4.672 9.727 ( 5.067 1.439 -3.183) 6.154 9.727 ( 5.067 1.439 3.183) 6.154 ======================= Grid point 472 (140/147) ======================= q-point: (-0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -5.159 4.500 -12.194) 13.984 1.200 ( -5.159 4.500 12.194) 13.984 1.556 ( -5.226 12.591 -6.346) 15.037 1.556 ( -5.226 12.591 6.346) 15.037 1.784 ( -4.297 -0.628 -2.243) 4.888 1.784 ( -4.297 -0.628 2.243) 4.888 2.047 ( -7.569 -2.429 -1.751) 8.139 2.047 ( -7.569 -2.429 1.751) 8.139 2.134 ( -5.808 -4.050 -2.787) 7.609 2.134 ( -5.808 -4.050 2.787) 7.609 2.308 ( -8.765 -6.691 -2.185) 11.241 2.308 ( -8.765 -6.691 2.185) 11.241 2.504 ( -3.644 2.554 -2.085) 4.914 2.504 ( -3.644 2.554 2.085) 4.914 2.633 ( -8.236 13.676 -10.382) 19.043 2.633 ( -8.236 13.676 10.382) 19.043 3.022 ( 0.060 -0.097 -7.061) 7.062 3.022 ( 0.060 -0.097 7.061) 7.062 3.263 ( 0.293 -4.534 -4.815) 6.620 3.263 ( 0.293 -4.534 4.815) 6.620 3.512 ( 2.084 -2.708 -1.802) 3.864 3.512 ( 2.084 -2.708 1.802) 3.864 3.621 ( 1.406 -7.353 -1.090) 7.565 3.621 ( 1.406 -7.353 1.090) 7.565 3.994 ( 2.685 2.192 -1.774) 3.894 3.994 ( 2.685 2.192 1.774) 3.894 5.754 ( -23.405 0.437 -0.052) 23.409 5.754 ( -23.405 0.437 0.052) 23.409 6.261 ( -1.865 -2.804 -4.574) 5.680 6.261 ( -1.865 -2.804 4.574) 5.680 6.680 ( 1.424 0.171 -3.754) 4.019 6.680 ( 1.424 0.171 3.754) 4.019 6.750 ( 1.905 -2.900 -1.355) 3.725 6.750 ( 1.905 -2.900 1.355) 3.725 6.840 ( 1.222 2.624 -4.482) 5.335 6.840 ( 1.222 2.624 4.482) 5.335 7.211 ( -4.550 0.600 -3.846) 5.988 7.211 ( -4.550 0.600 3.846) 5.988 7.464 ( -0.161 5.252 -7.528) 9.180 7.464 ( -0.161 5.252 7.528) 9.180 7.683 ( 3.145 -0.932 -6.618) 7.387 7.683 ( 3.145 -0.932 6.618) 7.387 8.649 ( 1.903 -4.617 -2.998) 5.824 8.649 ( 1.903 -4.617 2.998) 5.824 8.945 ( 4.043 -2.840 -3.865) 6.273 8.945 ( 4.043 -2.840 3.865) 6.273 9.804 ( 3.647 2.072 -2.427) 4.846 9.804 ( 3.647 2.072 2.427) 4.846 ======================= Grid point 474 (141/147) ======================= q-point: (-0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -0.000 5.766 -14.854) 15.934 1.126 ( -0.000 5.766 14.854) 15.934 1.397 ( -0.000 16.165 -7.777) 17.939 1.397 ( -0.000 16.165 7.777) 17.939 1.737 ( -0.000 1.745 -3.338) 3.767 1.737 ( -0.000 1.745 3.338) 3.767 1.943 ( 0.000 -0.575 -5.469) 5.499 1.943 ( 0.000 -0.575 5.469) 5.499 2.186 ( 0.000 -5.805 -7.859) 9.771 2.186 ( 0.000 -5.805 7.859) 9.771 2.206 ( 0.000 -6.344 -1.403) 6.498 2.206 ( 0.000 -6.344 1.403) 6.498 2.453 ( -0.000 14.501 -15.447) 21.187 2.453 ( -0.000 14.501 15.447) 21.187 2.493 ( 0.000 -1.243 -0.974) 1.580 2.493 ( 0.000 -1.243 0.974) 1.580 3.025 ( 0.000 -0.513 -6.251) 6.272 3.025 ( 0.000 -0.513 6.251) 6.272 3.291 ( 0.000 -3.534 -4.004) 5.340 3.291 ( 0.000 -3.534 4.004) 5.340 3.546 ( 0.000 -1.781 -1.750) 2.497 3.546 ( 0.000 -1.781 1.750) 2.497 3.692 ( 0.000 -10.553 -2.737) 10.902 3.692 ( 0.000 -10.553 2.737) 10.902 4.011 ( -0.000 2.393 -2.501) 3.462 4.011 ( -0.000 2.393 2.501) 3.462 5.484 ( -0.000 2.724 -1.243) 2.994 5.484 ( -0.000 2.724 1.243) 2.994 6.254 ( 0.000 -2.995 -4.673) 5.550 6.254 ( 0.000 -2.995 4.673) 5.550 6.701 ( 0.000 -0.270 -4.657) 4.665 6.701 ( 0.000 -0.270 4.657) 4.665 6.774 ( -0.000 1.208 -6.716) 6.824 6.774 ( -0.000 1.208 6.716) 6.824 6.852 ( -0.000 0.439 -1.125) 1.207 6.852 ( -0.000 0.439 1.125) 1.207 7.151 ( -0.000 0.554 -3.813) 3.853 7.151 ( -0.000 0.554 3.813) 3.853 7.434 ( -0.000 5.751 -9.672) 11.252 7.434 ( -0.000 5.751 9.672) 11.252 7.719 ( 0.000 -0.718 -7.477) 7.511 7.719 ( 0.000 -0.718 7.477) 7.511 8.692 ( 0.000 -4.637 -0.385) 4.653 8.692 ( 0.000 -4.637 0.385) 4.653 9.012 ( 0.000 -5.073 -6.543) 8.279 9.012 ( 0.000 -5.073 6.543) 8.279 9.829 ( -0.000 2.525 -1.952) 3.191 9.829 ( -0.000 2.525 1.952) 3.191 ======================= Grid point 492 (142/147) ======================= q-point: (-0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -10.615 -0.000 -4.760) 11.633 1.571 ( -10.615 -0.000 4.760) 11.633 1.767 ( -2.531 -0.000 -0.958) 2.707 1.767 ( -2.531 -0.000 0.958) 2.707 2.023 ( -5.215 -0.000 -5.296) 7.432 2.023 ( -5.215 -0.000 5.296) 7.432 2.152 ( -8.042 -0.000 -1.513) 8.183 2.152 ( -8.042 -0.000 1.513) 8.183 2.283 ( 1.381 0.000 -6.582) 6.725 2.283 ( 1.381 0.000 6.582) 6.725 2.748 ( -8.409 -0.000 -3.918) 9.277 2.748 ( -8.409 -0.000 3.918) 9.277 2.808 ( -7.075 -0.000 -0.779) 7.117 2.808 ( -7.075 -0.000 0.779) 7.117 3.002 ( -1.520 -0.000 -2.518) 2.941 3.002 ( -1.520 -0.000 2.518) 2.941 3.179 ( -1.978 -0.000 -0.240) 1.992 3.179 ( -1.978 -0.000 0.240) 1.992 3.278 ( -2.813 -0.000 -2.447) 3.728 3.278 ( -2.813 -0.000 2.447) 3.728 3.520 ( -3.519 -0.000 -4.520) 5.728 3.520 ( -3.519 -0.000 4.520) 5.728 3.632 ( -11.243 -0.000 -1.123) 11.299 3.632 ( -11.243 -0.000 1.123) 11.299 3.901 ( 1.006 0.000 -0.308) 1.052 3.901 ( 1.006 0.000 0.308) 1.052 6.201 ( 1.824 0.000 -3.633) 4.065 6.201 ( 1.824 0.000 3.633) 4.065 6.323 ( -1.316 -0.000 -0.861) 1.573 6.323 ( -1.316 -0.000 0.861) 1.573 6.719 ( -1.084 -0.000 -0.077) 1.086 6.719 ( -1.084 -0.000 0.077) 1.086 6.803 ( -0.290 -0.000 -5.426) 5.433 6.803 ( -0.290 -0.000 5.426) 5.433 6.985 ( -11.191 -0.000 -2.214) 11.408 6.985 ( -11.191 -0.000 2.214) 11.408 7.324 ( -1.625 -0.000 -7.236) 7.416 7.324 ( -1.625 -0.000 7.236) 7.416 7.481 ( 5.663 0.000 -0.071) 5.663 7.481 ( 5.663 0.000 0.071) 5.663 7.608 ( -6.121 -0.000 -3.029) 6.829 7.608 ( -6.121 -0.000 3.029) 6.829 8.455 ( 3.475 0.000 -17.745) 18.082 8.455 ( 3.475 0.000 17.745) 18.082 8.775 ( 3.089 0.000 -7.128) 7.768 8.775 ( 3.089 0.000 7.128) 7.768 9.643 ( 4.778 0.000 -3.650) 6.013 9.643 ( 4.778 0.000 3.650) 6.013 ======================= Grid point 496 (143/147) ======================= q-point: (-0.54 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -8.916 0.818 -8.591) 12.408 1.380 ( -8.916 0.818 8.591) 12.408 1.730 ( -1.009 2.246 -0.857) 2.607 1.730 ( -1.009 2.246 0.857) 2.607 1.911 ( -5.996 2.847 -3.799) 7.648 1.911 ( -5.996 2.847 3.799) 7.648 2.030 ( -5.162 -4.320 -1.524) 6.901 2.030 ( -5.162 -4.320 1.524) 6.901 2.292 ( -2.006 -1.878 -3.973) 4.830 2.292 ( -2.006 -1.878 3.973) 4.830 2.475 ( -18.532 -0.111 -1.542) 18.596 2.475 ( -18.532 -0.111 1.542) 18.596 2.649 ( -9.286 -0.403 -0.966) 9.345 2.649 ( -9.286 -0.403 0.966) 9.345 2.978 ( -2.221 2.486 -2.508) 4.171 2.978 ( -2.221 2.486 2.508) 4.171 3.082 ( -6.212 6.654 -9.455) 13.125 3.082 ( -6.212 6.654 9.455) 13.125 3.192 ( -4.563 -5.696 -4.711) 8.687 3.192 ( -4.563 -5.696 4.711) 8.687 3.443 ( -0.950 -0.848 -1.087) 1.675 3.443 ( -0.950 -0.848 1.087) 1.675 3.556 ( -0.382 -1.059 -2.371) 2.625 3.556 ( -0.382 -1.059 2.371) 2.625 3.952 ( 3.639 0.387 -0.724) 3.730 3.952 ( 3.639 0.387 0.724) 3.730 6.186 ( -13.071 1.971 -1.139) 13.268 6.186 ( -13.071 1.971 1.139) 13.268 6.238 ( -2.940 -3.465 -3.382) 5.665 6.238 ( -2.940 -3.465 3.382) 5.665 6.695 ( -2.059 1.143 -2.500) 3.434 6.695 ( -2.059 1.143 2.500) 3.434 6.717 ( -5.144 -1.696 -2.305) 5.886 6.717 ( -5.144 -1.696 2.305) 5.886 6.845 ( 0.037 0.478 -5.288) 5.310 6.845 ( 0.037 0.478 5.288) 5.310 7.295 ( -2.442 0.539 -7.582) 7.984 7.295 ( -2.442 0.539 7.582) 7.984 7.529 ( -1.414 1.040 -3.000) 3.476 7.529 ( -1.414 1.040 3.000) 3.476 7.589 ( 4.957 -0.400 -3.424) 6.038 7.589 ( 4.957 -0.400 3.424) 6.038 8.535 ( 3.927 -1.619 -11.131) 11.914 8.535 ( 3.927 -1.619 11.131) 11.914 8.844 ( 4.054 -0.271 -2.338) 4.688 8.844 ( 4.054 -0.271 2.338) 4.688 9.738 ( 5.146 0.475 -3.332) 6.149 9.738 ( 5.146 0.475 3.332) 6.149 ======================= Grid point 498 (144/147) ======================= q-point: (-0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 254 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -5.071 2.046 -11.506) 12.739 1.236 ( -5.071 2.046 11.506) 12.739 1.680 ( -2.438 8.805 -2.706) 9.529 1.680 ( -2.438 8.805 2.706) 9.529 1.782 ( -4.960 0.914 -2.745) 5.742 1.782 ( -4.960 0.914 2.745) 5.742 1.996 ( -3.026 -5.812 -1.206) 6.663 1.996 ( -3.026 -5.812 1.206) 6.663 2.117 ( -11.550 0.199 -2.334) 11.786 2.117 ( -11.550 0.199 2.334) 11.786 2.237 ( -8.120 -5.528 -1.724) 9.973 2.237 ( -8.120 -5.528 1.724) 9.973 2.512 ( -4.096 0.077 -0.498) 4.127 2.512 ( -4.096 0.077 0.498) 4.127 2.804 ( -6.761 15.240 -6.756) 17.990 2.804 ( -6.761 15.240 6.756) 17.990 3.025 ( -0.005 0.695 -9.760) 9.785 3.025 ( -0.005 0.695 9.760) 9.785 3.187 ( -1.084 -9.251 -7.692) 12.080 3.187 ( -1.084 -9.251 7.692) 12.080 3.472 ( 1.578 -3.303 -1.800) 4.079 3.472 ( 1.578 -3.303 1.800) 4.079 3.573 ( 1.099 -1.986 -2.625) 3.471 3.573 ( 1.099 -1.986 2.625) 3.471 4.013 ( 2.814 1.231 -1.483) 3.411 4.013 ( 2.814 1.231 1.483) 3.411 5.759 ( -22.677 0.363 -0.309) 22.682 5.759 ( -22.677 0.363 0.309) 22.682 6.237 ( -0.756 -1.449 -5.059) 5.316 6.237 ( -0.756 -1.449 5.059) 5.316 6.679 ( 1.002 -0.272 -4.288) 4.412 6.679 ( 1.002 -0.272 4.288) 4.412 6.719 ( 0.863 -2.118 -1.847) 2.940 6.719 ( 0.863 -2.118 1.847) 2.940 6.867 ( 2.577 1.814 -4.783) 5.728 6.867 ( 2.577 1.814 4.783) 5.728 7.217 ( -4.792 0.452 -4.411) 6.528 7.217 ( -4.792 0.452 4.411) 6.528 7.517 ( 0.725 3.875 -6.877) 7.927 7.517 ( 0.725 3.875 6.877) 7.927 7.670 ( 2.768 -1.357 -6.151) 6.880 7.670 ( 2.768 -1.357 6.151) 6.880 8.607 ( 2.103 -2.802 -4.906) 6.028 8.607 ( 2.103 -2.802 4.906) 6.028 8.924 ( 3.504 -1.166 -1.809) 4.112 8.924 ( 3.504 -1.166 1.809) 4.112 9.821 ( 3.656 1.036 -2.679) 4.649 9.821 ( 3.656 1.036 2.679) 4.649 ======================= Grid point 500 (145/147) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 3.045 -13.299) 13.643 1.173 ( -0.000 3.045 13.299) 13.643 1.563 ( -0.000 13.541 -4.697) 14.333 1.563 ( -0.000 13.541 4.697) 14.333 1.743 ( 0.000 -0.433 -2.375) 2.414 1.743 ( 0.000 -0.433 2.375) 2.414 1.933 ( 0.000 -1.366 -4.807) 4.998 1.933 ( 0.000 -1.366 4.807) 4.998 2.120 ( 0.000 -5.199 -4.571) 6.922 2.120 ( 0.000 -5.199 4.571) 6.922 2.132 ( 0.000 -6.574 -0.580) 6.600 2.132 ( 0.000 -6.574 0.580) 6.600 2.483 ( 0.000 -0.640 -1.061) 1.239 2.483 ( 0.000 -0.640 1.061) 1.239 2.639 ( -0.000 17.851 -12.454) 21.766 2.639 ( -0.000 17.851 12.454) 21.766 3.024 ( -0.000 0.234 -8.124) 8.128 3.024 ( -0.000 0.234 8.124) 8.128 3.229 ( 0.000 -8.180 -6.755) 10.608 3.229 ( 0.000 -8.180 6.755) 10.608 3.510 ( 0.000 -4.043 -0.987) 4.161 3.510 ( 0.000 -4.043 0.987) 4.161 3.607 ( 0.000 -4.650 -3.216) 5.654 3.607 ( 0.000 -4.650 3.216) 5.654 4.034 ( -0.000 1.780 -1.962) 2.649 4.034 ( -0.000 1.780 1.962) 2.649 5.508 ( -0.000 1.541 -1.077) 1.879 5.508 ( -0.000 1.541 1.077) 1.879 6.232 ( 0.000 -1.133 -5.232) 5.353 6.232 ( 0.000 -1.133 5.232) 5.353 6.696 ( 0.000 -0.543 -4.544) 4.576 6.696 ( 0.000 -0.543 4.544) 4.576 6.744 ( 0.000 -3.652 -4.887) 6.100 6.744 ( 0.000 -3.652 4.887) 6.100 6.890 ( -0.000 3.800 -3.363) 5.074 6.890 ( -0.000 3.800 3.363) 5.074 7.155 ( -0.000 0.172 -3.922) 3.926 7.155 ( -0.000 0.172 3.922) 3.926 7.498 ( -0.000 5.570 -8.645) 10.284 7.498 ( -0.000 5.570 8.645) 10.284 7.705 ( 0.000 -1.637 -7.420) 7.598 7.705 ( 0.000 -1.637 7.420) 7.598 8.644 ( 0.000 -3.721 -2.246) 4.346 8.644 ( 0.000 -3.721 2.246) 4.346 8.971 ( 0.000 -2.430 -3.861) 4.562 8.971 ( 0.000 -2.430 3.861) 4.562 9.852 ( -0.000 1.540 -2.235) 2.714 9.852 ( -0.000 1.540 2.235) 2.714 ======================= Grid point 522 (146/147) ======================= q-point: (-0.54 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -5.059 -0.000 -11.091) 12.190 1.247 ( -5.059 -0.000 11.091) 12.190 1.725 ( -0.665 -0.000 -0.830) 1.064 1.725 ( -0.665 -0.000 0.830) 1.064 1.803 ( -6.511 -0.000 -1.098) 6.603 1.803 ( -6.511 -0.000 1.098) 6.603 1.952 ( -1.886 -0.000 -2.598) 3.210 1.952 ( -1.886 -0.000 2.598) 3.210 2.122 ( -13.602 -0.000 -2.656) 13.859 2.122 ( -13.602 -0.000 2.656) 13.859 2.202 ( -7.089 -0.000 -1.410) 7.228 2.202 ( -7.089 -0.000 1.410) 7.228 2.512 ( -4.192 -0.000 -0.591) 4.233 2.512 ( -4.192 -0.000 0.591) 4.233 2.911 ( -5.433 -0.000 -4.190) 6.861 2.911 ( -5.433 -0.000 4.190) 6.861 3.041 ( -0.912 -0.000 -16.064) 16.090 3.041 ( -0.912 -0.000 16.064) 16.090 3.100 ( -1.581 -0.000 -9.131) 9.267 3.100 ( -1.581 -0.000 9.131) 9.267 3.454 ( 1.598 0.000 -1.987) 2.550 3.454 ( 1.598 0.000 1.987) 2.550 3.563 ( 0.928 0.000 -2.895) 3.040 3.563 ( 0.928 0.000 2.895) 3.040 4.020 ( 2.872 0.000 -1.366) 3.180 4.020 ( 2.872 0.000 1.366) 3.180 5.761 ( -22.524 -0.000 -0.396) 22.528 5.761 ( -22.524 -0.000 0.396) 22.528 6.229 ( -0.188 -0.000 -5.235) 5.238 6.229 ( -0.188 -0.000 5.235) 5.238 6.676 ( 0.806 0.000 -4.651) 4.720 6.676 ( 0.806 0.000 4.651) 4.720 6.708 ( 0.581 0.000 -2.047) 2.128 6.708 ( 0.581 0.000 2.047) 2.128 6.877 ( 2.907 0.000 -4.884) 5.683 6.877 ( 2.907 0.000 4.884) 5.683 7.219 ( -4.929 -0.000 -4.517) 6.686 7.219 ( -4.929 -0.000 4.517) 6.686 7.540 ( 1.225 0.000 -6.378) 6.494 7.540 ( 1.225 0.000 6.378) 6.494 7.660 ( 2.499 0.000 -5.382) 5.934 7.660 ( 2.499 0.000 5.382) 5.934 8.591 ( 2.172 0.000 -5.434) 5.852 8.591 ( 2.172 0.000 5.434) 5.852 8.918 ( 3.342 0.000 -1.151) 3.535 8.918 ( 3.342 0.000 1.151) 3.535 9.827 ( 3.664 0.000 -2.778) 4.598 9.827 ( 3.664 0.000 2.778) 4.598 ======================= Grid point 526 (147/147) ======================= q-point: (-0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 1.10e-04 1.10e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.000 0.968 -12.138) 12.177 1.195 ( -0.000 0.968 12.138) 12.177 1.681 ( -0.000 6.752 -1.665) 6.955 1.681 ( -0.000 6.752 1.665) 6.955 1.735 ( 0.000 -0.560 -2.622) 2.681 1.735 ( 0.000 -0.560 2.622) 2.681 1.913 ( 0.000 -1.799 -4.960) 5.276 1.913 ( 0.000 -1.799 4.960) 5.276 2.075 ( 0.000 -3.102 -0.132) 3.105 2.075 ( 0.000 -3.102 0.132) 3.105 2.081 ( 0.000 -1.794 -2.198) 2.837 2.081 ( 0.000 -1.794 2.198) 2.837 2.479 ( 0.000 -0.186 -0.976) 0.993 2.479 ( 0.000 -0.186 0.976) 0.993 2.815 ( -0.000 11.828 -4.439) 12.633 2.815 ( -0.000 11.828 4.439) 12.633 3.030 ( -0.000 1.134 -11.817) 11.871 3.030 ( -0.000 1.134 11.817) 11.871 3.121 ( 0.000 -9.641 -10.957) 14.595 3.121 ( 0.000 -9.641 10.957) 14.595 3.477 ( 0.000 -1.473 -2.051) 2.525 3.477 ( 0.000 -1.473 2.051) 2.525 3.578 ( 0.000 -1.184 -2.941) 3.171 3.578 ( 0.000 -1.184 2.941) 3.171 4.048 ( -0.000 0.660 -1.653) 1.780 4.048 ( -0.000 0.660 1.653) 1.780 5.519 ( -0.000 0.460 -0.982) 1.084 5.519 ( -0.000 0.460 0.982) 1.084 6.225 ( 0.000 -0.188 -5.565) 5.569 6.225 ( 0.000 -0.188 5.565) 5.569 6.691 ( 0.000 -0.272 -4.400) 4.408 6.691 ( 0.000 -0.272 4.400) 4.408 6.715 ( 0.000 -1.423 -4.476) 4.697 6.715 ( 0.000 -1.423 4.476) 4.697 6.919 ( -0.000 1.292 -4.028) 4.230 6.919 ( -0.000 1.292 4.028) 4.230 7.156 ( -0.000 0.019 -3.946) 3.946 7.156 ( -0.000 0.019 3.946) 3.946 7.547 ( -0.000 2.734 -7.660) 8.133 7.547 ( -0.000 2.734 7.660) 8.133 7.687 ( 0.000 -1.236 -6.598) 6.713 7.687 ( 0.000 -1.236 6.598) 6.713 8.615 ( 0.000 -1.404 -3.263) 3.552 8.615 ( 0.000 -1.404 3.263) 3.552 8.955 ( 0.000 -0.712 -2.415) 2.517 8.955 ( 0.000 -0.712 2.415) 2.517 9.863 ( -0.000 0.521 -2.444) 2.499 9.863 ( -0.000 0.521 2.444) 2.499 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32448 10.0 464.763 1120.698 427.952 0.000 0.000 -0.000 3/32448 20.0 106.343 104.471 67.760 0.000 0.000 -0.000 3/32448 30.0 49.356 36.756 27.367 0.000 0.000 -0.000 3/32448 40.0 32.907 21.027 16.803 0.000 0.000 -0.000 3/32448 50.0 24.978 14.671 12.208 0.000 0.000 -0.000 3/32448 60.0 20.037 11.230 9.582 0.000 0.000 -0.000 3/32448 70.0 16.616 9.058 7.865 0.000 0.000 -0.000 3/32448 80.0 14.125 7.565 6.658 0.000 0.000 -0.000 3/32448 90.0 12.249 6.482 5.770 0.000 0.000 -0.000 3/32448 100.0 10.798 5.665 5.093 0.000 0.000 -0.000 3/32448 110.0 9.649 5.029 4.561 0.000 0.000 -0.000 3/32448 120.0 8.719 4.521 4.134 0.000 0.000 -0.000 3/32448 130.0 7.954 4.108 3.783 0.000 0.000 -0.000 3/32448 140.0 7.314 3.764 3.490 0.000 0.000 -0.000 3/32448 150.0 6.771 3.475 3.241 0.000 0.000 -0.000 3/32448 160.0 6.305 3.228 3.026 0.000 0.000 -0.000 3/32448 170.0 5.900 3.015 2.840 0.000 0.000 -0.000 3/32448 180.0 5.546 2.829 2.676 0.000 0.000 -0.000 3/32448 190.0 5.232 2.665 2.530 0.000 0.000 -0.000 3/32448 200.0 4.954 2.519 2.400 0.000 0.000 -0.000 3/32448 210.0 4.704 2.390 2.284 0.000 0.000 -0.000 3/32448 220.0 4.478 2.273 2.178 0.000 0.000 -0.000 3/32448 230.0 4.274 2.167 2.082 0.000 0.000 -0.000 3/32448 240.0 4.088 2.071 1.994 0.000 0.000 -0.000 3/32448 250.0 3.918 1.983 1.914 0.000 0.000 -0.000 3/32448 260.0 3.762 1.903 1.840 0.000 0.000 -0.000 3/32448 270.0 3.618 1.829 1.771 0.000 0.000 -0.000 3/32448 280.0 3.485 1.761 1.708 0.000 0.000 -0.000 3/32448 290.0 3.362 1.697 1.649 0.000 0.000 -0.000 3/32448 300.0 3.247 1.639 1.594 0.000 0.000 -0.000 3/32448 310.0 3.140 1.584 1.543 0.000 0.000 -0.000 3/32448 320.0 3.040 1.533 1.495 0.000 0.000 -0.000 3/32448 330.0 2.946 1.485 1.449 0.000 0.000 -0.000 3/32448 340.0 2.858 1.440 1.407 0.000 0.000 -0.000 3/32448 350.0 2.775 1.397 1.367 0.000 0.000 -0.000 3/32448 360.0 2.697 1.358 1.329 0.000 0.000 -0.000 3/32448 370.0 2.623 1.320 1.293 0.000 0.000 -0.000 3/32448 380.0 2.553 1.285 1.259 0.000 0.000 -0.000 3/32448 390.0 2.487 1.251 1.227 0.000 0.000 -0.000 3/32448 400.0 2.424 1.219 1.197 0.000 0.000 -0.000 3/32448 410.0 2.365 1.189 1.168 0.000 0.000 -0.000 3/32448 420.0 2.308 1.160 1.140 0.000 0.000 -0.000 3/32448 430.0 2.254 1.133 1.114 0.000 0.000 -0.000 3/32448 440.0 2.202 1.106 1.088 0.000 0.000 -0.000 3/32448 450.0 2.153 1.081 1.064 0.000 0.000 -0.000 3/32448 460.0 2.106 1.058 1.041 0.000 0.000 -0.000 3/32448 470.0 2.061 1.035 1.019 0.000 0.000 -0.000 3/32448 480.0 2.018 1.013 0.998 0.000 0.000 -0.000 3/32448 490.0 1.977 0.992 0.978 0.000 0.000 -0.000 3/32448 500.0 1.937 0.972 0.959 0.000 0.000 -0.000 3/32448 510.0 1.899 0.953 0.940 0.000 0.000 -0.000 3/32448 520.0 1.862 0.934 0.922 0.000 0.000 -0.000 3/32448 530.0 1.827 0.916 0.905 0.000 0.000 -0.000 3/32448 540.0 1.793 0.899 0.888 0.000 0.000 -0.000 3/32448 550.0 1.761 0.883 0.872 0.000 0.000 -0.000 3/32448 560.0 1.729 0.867 0.857 0.000 0.000 -0.000 3/32448 570.0 1.699 0.852 0.842 0.000 0.000 -0.000 3/32448 580.0 1.669 0.837 0.827 0.000 0.000 -0.000 3/32448 590.0 1.641 0.823 0.813 0.000 0.000 -0.000 3/32448 600.0 1.614 0.809 0.800 0.000 0.000 -0.000 3/32448 610.0 1.587 0.795 0.787 0.000 0.000 -0.000 3/32448 620.0 1.562 0.783 0.774 0.000 0.000 -0.000 3/32448 630.0 1.537 0.770 0.762 0.000 0.000 -0.000 3/32448 640.0 1.513 0.758 0.750 0.000 0.000 -0.000 3/32448 650.0 1.490 0.746 0.739 0.000 0.000 -0.000 3/32448 660.0 1.467 0.735 0.728 0.000 0.000 -0.000 3/32448 670.0 1.445 0.724 0.717 0.000 0.000 -0.000 3/32448 680.0 1.424 0.713 0.706 0.000 0.000 -0.000 3/32448 690.0 1.404 0.703 0.696 0.000 0.000 -0.000 3/32448 700.0 1.383 0.693 0.686 0.000 0.000 -0.000 3/32448 710.0 1.364 0.683 0.677 0.000 0.000 -0.000 3/32448 720.0 1.345 0.673 0.667 0.000 0.000 -0.000 3/32448 730.0 1.327 0.664 0.658 0.000 0.000 -0.000 3/32448 740.0 1.309 0.655 0.649 0.000 0.000 -0.000 3/32448 750.0 1.291 0.646 0.641 0.000 0.000 -0.000 3/32448 760.0 1.274 0.638 0.632 0.000 0.000 -0.000 3/32448 770.0 1.258 0.630 0.624 0.000 0.000 -0.000 3/32448 780.0 1.242 0.622 0.616 0.000 0.000 -0.000 3/32448 790.0 1.226 0.614 0.609 0.000 0.000 -0.000 3/32448 800.0 1.211 0.606 0.601 0.000 0.000 -0.000 3/32448 810.0 1.196 0.598 0.594 0.000 0.000 -0.000 3/32448 820.0 1.181 0.591 0.586 0.000 0.000 -0.000 3/32448 830.0 1.167 0.584 0.579 0.000 0.000 -0.000 3/32448 840.0 1.153 0.577 0.572 0.000 0.000 -0.000 3/32448 850.0 1.140 0.570 0.566 0.000 0.000 -0.000 3/32448 860.0 1.127 0.564 0.559 0.000 0.000 -0.000 3/32448 870.0 1.114 0.557 0.553 0.000 0.000 -0.000 3/32448 880.0 1.101 0.551 0.547 0.000 0.000 -0.000 3/32448 890.0 1.089 0.545 0.541 0.000 0.000 -0.000 3/32448 900.0 1.077 0.539 0.535 0.000 0.000 -0.000 3/32448 910.0 1.065 0.533 0.529 0.000 0.000 -0.000 3/32448 920.0 1.053 0.527 0.523 0.000 0.000 -0.000 3/32448 930.0 1.042 0.521 0.517 0.000 0.000 -0.000 3/32448 940.0 1.031 0.516 0.512 0.000 0.000 -0.000 3/32448 950.0 1.020 0.510 0.507 0.000 0.000 -0.000 3/32448 960.0 1.010 0.505 0.501 0.000 0.000 -0.000 3/32448 970.0 0.999 0.500 0.496 0.000 0.000 -0.000 3/32448 980.0 0.989 0.495 0.491 0.000 0.000 -0.000 3/32448 990.0 0.979 0.490 0.486 0.000 0.000 -0.000 3/32448 1000.0 0.969 0.485 0.481 0.000 0.000 -0.000 3/32448 Thermal conductivity related properties were written into "kappa-m13134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:49:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|